bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessing different European Carbon Border Adjustment Mechanism implementations and their impact on trade partners
Authors: Beaufils Timothé , Ward Hauke , Jakob Michael , Wenz Leonie
Published: April 2023

The European Union (EU) will implement a Carbon Border Adjustment Mechanism (CBAM) to reach its climate mitigation targets while avoiding the relocation of its industries to countries with less stringent climate policies (carbon leakage). The exact implementation and possible future extensions of such an EU CBAM are still being debated. Here we apply a throughflow-based accounting method on detailed trade network data to assess the coverage of different implementation options. Using a stylized comprehensive EU CBAM as benchmark, we then quantify how an EU CBAM may affect the EU’s trade partners by channeling the EU carbon price to other countries. We find that middle- and low-income countries for which the EU is an important export market would be disproportionally impacted even under conservative implementation options. We finally explore different international revenue recycling schemes to make the EU CBAM inclusive toward vulnerable countries and able to foster global climate cooperation.
Geodynamic oxidation of Archean terrestrial surfaces
Authors: Wu Xiao , Zhu Jianxi , He Hongping , Xian Haiyang , Yang Yiping , Ma Lingya , Liang Xiaoliang , Lin Xiaoju , Li Shan , Konhauser Kurt O. , Li Yiliang
Published: April 2023

One of the paradoxes of the Archean rock record is how evidence for oxidative continental weathering is plausible when the atmosphere lacked oxygen prior to the Great Oxidation Event ca. 2.5 billion years ago. We detected reactive oxygen species (ROS) production at various silicate-water interfaces in a simulated Archean atmosphere and calculated homolysis rates of silicon–oxygen bonds in these minerals. We find that ROS can be produced while silicates were eroded and transported by streams to depositional basins. The magnitude of ROS production increases from mafic- to felsic-silicates. During early continent formation, e.g., the Kaapvaal and Pilbara basins in the Paleoarchean, the emplacement of granitoids and their subsequent exposure to physical weathering might have annually provided at least 1.73 × 108 mol O2 before the biological O2 production. Importantly, this process could have oxidatively mobilized redox-sensitive elements to seawater, increasing the availability of bioessential nutrient elements for the Archean biosphere.
Estimating coastal flood damage costs to transit infrastructure under future sea level rise
Authors: Martello Michael V. , Whittle Andrew J.
Published: April 2023

Future sea level rise (SLR) and associated increases in the frequency and intensity of coastal flooding poses significant threats to coastal communities and transit systems. Yet current literature and practice lack methods for estimating flood damage costs to transit systems. Here, we construct an event-specific flood damage cost estimation framework for transit systems, simulating separately flood ingress into underground spaces. We apply this framework to the MBTA rail transit system in Boston, estimating damages under several coastal flood events with SLR and project expected annualized losses (EAL) through 2100 with uncertain SLR. We estimate EALs to the MBTA system have doubled since 2008 to $24.4 M/year and are expected to reach $58 M/year by 2030 under all SLR scenarios. Our results suggest that absent adaptation schemes, particularly at tunnel ingress locations, coastal flood risk will continue to accelerate, potentially resulting in permanent inundation of underground and low-lying sections of the transit system.
Mediterranean Sea heatwaves jeopardize greater amberjack’s (Seriola dumerili) aquaculture productivity through impacts on the fish microbiota
Authors: Sánchez-Cueto Pablo , Stavrakidis-Zachou Orestis , Clos-Garcia Marc , Bosch Montse , Papandroulakis Nikos , Lladó Salvador
Published: April 2023

Climate change is dramatically increasing the frequency and severity of marine heatwaves (MHWs) in the Mediterranean basin, strongly affecting marine food production systems. However, how it will shape the ecology of aquaculture systems, and the cascading effects on productivity, is still a major knowledge gap. The present work aims to increase our understanding of future impacts, caused by raising water temperatures, on the interaction between water and fish microbiotas, and consequential effects upon fish growth. Thus, the bacterial communities present in the water tanks, and mucosal tissues (skin, gills and gut), of greater amberjack farmed in recirculatory aquaculture systems (RAS), at three different temperatures (24, 29 and 33 °C), were characterized in a longitudinal study. The greater amberjack (Seriola dumerili) is a teleost species with high potential for EU aquaculture diversification due to its fast growth, excellent flesh quality and global market. We show that higher water temperatures disrupt the greater amberjack’s microbiota. Our results demonstrate the causal mediation exerted by this bacterial community shifts on the reduction of fish growth. The abundance of members of the Pseudoalteromonas is positively correlated with fish performance, whereas members of the Psychrobacter, Chryseomicrobium, Paracoccus and Enterovibrio are suggested as biomarkers for dysbiosis, at higher water temperatures. Hence, opening new evidence-based avenues for the development of targeted microbiota-based biotechnological tools, designed to increase the resilience and adaptation to climate change of the Mediterranean aquaculture industry.
Predicting lymph node metastasis from primary tumor histology and clinicopathologic factors in colorectal cancer using deep learning
Authors: Krogue Justin D. , Azizi Shekoofeh , Tan Fraser , Flament-Auvigne Isabelle , Brown Trissia , Plass Markus , Reihs Robert , Müller Heimo , Zatloukal Kurt , Richeson Pema , Corrado Greg S. , Peng Lily H. , Mermel Craig H. , Liu Yun , Chen Po-Hsuan Cameron , Gombar Saurabh , Montine Thomas , Shen Jeanne , Steiner David F. , Wulczyn Ellery
Published: April 2023

Background

Presence of lymph node metastasis (LNM) influences prognosis and clinical decision-making in colorectal cancer. However, detection of LNM is variable and depends on a number of external factors. Deep learning has shown success in computational pathology, but has struggled to boost performance when combined with known predictors.

Methods

Machine-learned features are created by clustering deep learning embeddings of small patches of tumor in colorectal cancer via k-means, and then selecting the top clusters that add predictive value to a logistic regression model when combined with known baseline clinicopathological variables. We then analyze performance of logistic regression models trained with and without these machine-learned features in combination with the baseline variables.

Results

The machine-learned extracted features provide independent signal for the presence of LNM (AUROC: 0.638, 95% CI: [0.590, 0.683]). Furthermore, the machine-learned features add predictive value to the set of 6 clinicopathologic variables in an external validation set (likelihood ratio test, p < 0.00032; AUROC: 0.740, 95% CI: [0.701, 0.780]). A model incorporating these features can also further risk-stratify patients with and without identified metastasis (p < 0.001 for both stage II and stage III).

Conclusion

This work demonstrates an effective approach to combine deep learning with established clinicopathologic factors in order to identify independently informative features associated with LNM. Further work building on these specific results may have important impact in prognostication and therapeutic decision making for LNM. Additionally, this general computational approach may prove useful in other contexts.
Adaptive spectroscopic visible-light optical coherence tomography for clinical retinal oximetry
Authors: Rubinoff Ian , Kuranov Roman V. , Fang Raymond , Ghassabi Zeinab , Wang Yuanbo , Beckmann Lisa , Miller David A. , Wollstein Gadi , Ishikawa Hiroshi , Schuman Joel S. , Zhang Hao F.
Published: April 2023

Background

Retinal oxygen saturation (sO2) provides essential information about the eye’s response to pathological changes that can result in vision loss. Visible-light optical coherence tomography (vis-OCT) is a noninvasive tool that has the potential to measure retinal sO2 in a clinical setting. However, its reliability is currently limited by unwanted signals referred to as spectral contaminants (SCs), and a comprehensive strategy to isolate true oxygen-dependent signals from SCs in vis-OCT is lacking.

Methods

We develop an adaptive spectroscopic vis-OCT (ADS-vis-OCT) technique that can adaptively remove SCs and accurately measure sO2 under the unique conditions of each vessel. We also validate the accuracy of ADS-vis-OCT using ex vivo blood phantoms and assess its repeatability in the retina of healthy volunteers.

Results

In ex vivo blood phantoms, ADS-vis-OCT agrees with a blood gas machine with only a 1% bias in samples with sO2 ranging from 0% to 100%. In the human retina, the root mean squared error between sO2 values in major arteries measured by ADS-vis-OCT and a pulse oximeter is 2.1% across 18 research participants. Additionally, the standard deviations of repeated ADS-vis-OCT measurements of sO2 values in smaller arteries and veins are 2.5% and 2.3%, respectively. Non-adaptive methods do not achieve comparable repeatabilities from healthy volunteers.

Conclusions

ADS-vis-OCT effectively removes SCs from human images, yielding accurate and repeatable sO2 measurements in retinal arteries and veins with varying diameters. This work could have important implications for the clinical use of vis-OCT to manage eye diseases.
Phase field modelling of crystal growth of NaCl in two dimensions
Authors: Tan Chao Dun , Hähner Georg
Published: April 2023

Modelling crystal growth is important for example in crystal engineering, materials science, and the life sciences.
Multiblock copolymer synthesisviaRAFT emulsion polymerization
Authors: Clothier Glenn K.K. , Guimarães Thiago R. , Thompson Steven W. , Rho Julia Y. , Perrier Sébastien , Moad Graeme , Zetterlund Per B.
Published: April 2023

Emulsion polymerization mediated by RAFT confers a plenty of advantages for the synthesis of multiblock copolymers, including but not limited to control over particle morphology, molecular weight, livingness, composition, and time.
Effect of tea polyphenols on the physicochemical, structural and digestive properties of modified high amylose corn starch
Authors: Zhao Di , Zhang Kangyi , Guo Dongxu , Tong Xiaofeng
Published: April 2023

The joint action of the molecular rearrangement by SBE and a suitable mode of TPS complexation provides a mechanistic basis for inhibiting the digestion rate of CES–TPS complexes.
Organocatalytic hydroboration of olefins in pyrrolidinium ionic liquids
Authors: Huninik Paweł , Szyling Jakub , Czapik Agnieszka , Walkowiak Jędrzej
Published: April 2023

ILs organocatalyzed regioselective hydroboration of alkenes with HBpin provides anti-Markovnikov adducts with high yields and selectivity. The system allows catalyst recycling up to 30 runs. Transformations of alkylboronic esters are also included.
Bioadhesives for clinical applications – a mini review
Authors: K. Uma
Published: April 2023

Bioadhesives are highly biocompatible and biodegradable polymers, which are used to join two surfaces where at least one of them is a living tissue.
Research progress on adsorption and separation of carbonyl sulfide in blast furnace gas
Authors: Wang Ying , Wu Xiaoqin , Wei Di , Chen Yue , Yang Jia , Wu LvYou
Published: April 2023

Carbonyl sulfide (COS) causes issues with blast furnace gas (BFG) treatment due to its unique physical and chemical properties. Here, we review the sources of COS in BFG and summarise the most common COS removal methods, including the most common types of adsorbents.
Functional surfaces, films, and coatings with lignin – a critical review
Authors: Ruwoldt Jost , Blindheim Fredrik Heen , Chinga-Carrasco Gary
Published: April 2023

Lignin can be modified and used in functional surfaces, films, and coatings.
Regiodivergent (3 + 2) annulation reactions of oxyallyl cations
Authors: Protich Zachary , Lowder Leah L. , Hughes Russell P. , Wu Jimmy
Published: April 2023

We report a new method for the regiodivergent dearomative (3 + 2) reaction between 3-substituted indoles and oxyallyl cations.
Bifunctional cysteine gold nanoclusters for β-amyloid fibril inhibition and fluorescence imaging: a distinctive approach to manage Alzheimer's disease
Authors: Resmi A. N. , Rekha C. R. , Dhushyandhun M. E. , Elangovan Sarathkumar , Shenoy Sachin J. , Gulia Kamalesh K. , Jayasree Ramapurath S.
Published: April 2023

l-Dopa conjugated cysteine-gold nanoclusters (AuCs-LD) can cross the blood–brain barrier and disintegrate Aβ plaques, demonstrating a potential therapeutic for the management of Alzheimer's disease.
Rational design of multivalent biosensor surfaces to enhance viral particle capture
Authors: Pan Wenwei , Han Ziyu , Chang Ye , Yan Xu , Zhou Feng , Shen Sihong , Duan Xuexin
Published: April 2023

A jagged forest-like three-dimensional (3D) biosensing interface, which can effectively capture viral particles and improve the detection sensitivity of the testing system, is proposed.
CRISPR Cas12a-enabled biosensors coupled with commercial pregnancy test strips for the visible point-of-care testing of SARS-CoV-2
Authors: Shen Peijie , Si Zhenjun , Huang Di , Xu Zhipeng , Wang Ziyi , Fang Mengjun , Xu Zhinan
Published: April 2023

A system consisting of CRISPR Cas12a-based biosensors and commercial pregnancy test strips (CRISPR-PTS) was established for the visible point-of-care testing of SARS-CoV-2.
Facile hydrothermal synthesis of N-doped fluorescent carbon dots for selective detection of insecticide parathion
Authors: Jiang Lei , Yuan Lin , Gao Shan , Xiang Yingying , Song Fei , Ma Wensi , Wan Jing , Ji Xiuling , Tu Yujiao
Published: April 2023

The schematic of the synthetic and purification route for blue fluorescent Rut-CDs and their application in the detection of parathion.
A cascade amplification strategy based on rolling circle amplification and hybridization chain reaction for ultrasensitive detection of pathogens
Authors: Jiang Hao , Lv Xuefei , Li Yuan , Deng Yulin , Yu Shiyong
Published: April 2023

Schematic diagram of a sensitive and selective SARS-CoV-2 detection method based on rolling circle amplification and hybridization chain reaction.
General method for detecting acrylamide in foods and comprehensive survey of acrylamide in foods sold in Southeast China
Authors: Yangping Li , Yuxiang Li , Hongjing Chen , Wenting Zhang , Yan Yang
Published: April 2023

This study aimed to investigate the distribution of acrylamide (AA) in food by developing a universal method for detecting AA in various foods and analyzing the levels of AA in 437 food samples collected from Southeast China.
Electrochemical monitoring of levofloxacin using a silver nanoparticle-modified disposable device based on a lab-made conductive ink
Authors: Lisboa Thalles Pedrosa , Couto da Silva Gabriela , Oliveira Raylla Santos , Veríssimo de Oliveira Wallace Burger , Cunha de Souza Cassiano , Costa Matos Maria Auxiliadora , Matos Renato Camargo
Published: April 2023

A low-cost electrochemical sensor using laboratory-made conductive ink modified with silver nanoparticles for levofloxacin monitoring in pharmaceutical formulations and biological fluids.
A three component 1,3-difunctionalization of vinyl diazo esters enabled by a cobalt catalyzed C–H activation/carbene migratory insertion
Authors: Khot Nandkishor Prakash , Nagtilak Prajyot Jayadev , Deo Nitish Kumar , Kapur Manmohan
Published: April 2023

A modular, regioselective 1,3-oxyarylation of vinyl diazo esters via a Co-catalyzed C–H activation/carbene migratory insertion cascade is reported herein.
Photoelectrochemical cells with a pyridine-anchored organic dye photoanode for efficient H2 generation by water reduction
Authors: Tang Kun , Shao Jiang-Yang , Zhong Yu-Wu
Published: April 2023

Organic dyes with pyridine anchors are used to construct stable photoelectrochemical cells for visible-light-sensitized water reduction into H2.
Design, synthesis and antifreeze properties of biomimetic peptoid oligomers
Authors: Zhang Min , Qiu Zhifeng , Yang Kang , Zhou Wencheng , Liu Wenqi , Lu Jianwei , Guo Li
Published: April 2023

A safe, efficient and stable antifreeze agent, antifreeze protein mimic peptoid, that is targeted to use in cryopreservation is reported.
An on-the-fly deep neural network for simulating time-resolved spectroscopy: predicting the ultrafast ring opening dynamics of 1,2-dithiane
Authors: Middleton Clelia , Rankine Conor D. , Penfold Thomas J.
Published: April 2023

A deep neural network to convert excited-state molecular dynamics simulations into time-resolved spectroscopic signals is developed. Its potential is demonstrated by probing dynamics of the ring opening of 1,2-dithiane using sulphur K-edge X-ray absorption spectroscopy.
Locally spontaneous dynamic oxygen migration on biphenylene: a DFT study
Authors: Situ Boyi , Yan Zihan , Huo Rubin , Wang Kongbo , Chen Liang , Zhang Zhe , Zhao Liang , Tu Yusong
Published: April 2023

The special hybrid carbon ring structure of biphenylene traps the oxygen atom in the C4 ring, thus exhibiting spatially controlled local dynamic oxygen migration.
First-principles study of electronic and optical properties in 1-dimensional oligomeric derivatives of telomestatin
Authors: Mérgola-Greef Joëlle , Milne Bruce F.
Published: April 2023

1-Dimensional conjugated oligomers inspired by the post-translationally modified cyclic peptide, telomestatin, display polarization-sensitive optical/electronic properties that are tunable and switchable depending on chain length and doping.
Multi-functionality of rhodium-loaded MOR zeolite: production of H2via the water gas shift reaction and its use in the formation of NH3
Authors: Yasumura Shunsaku , Nagai Ken , Qian Yucheng , Toyao Takashi , Maeno Zen , Shimizu Ken-ichi
Published: April 2023

Rh-loaded mordenite (RhMOR) zeolite was investigated as a catalyst that can use CO + H2O as a H2 source for NO reduction.
Water-based synthesis and nitrate release properties of a ZrIV-based metal–organic framework derived from l-aspartic acid
Authors: Abodunrin Temitope Olabisi , Kloda Matouŝ , Demel Jan , Taddei Marco
Published: April 2023

A water-based approach to obtain the nitrate loaded form of the cationic metal–organic framework MIP-202, built from [Zr6O4(OH)4] clusters and l-aspartate, is reported and its ability to release nitrate in solution is assessed.
Zirconium-based MOF nanocrystals confined on amphoteric halloysite nanotubes for promoting the catalytic hydrolysis of an organophosphorus nerve agent simulant
Authors: Li Shuwen , Zhang Heyao , Wu Gaigai , Wu Jie , Hou Hongwei
Published: April 2023

HNTs@NU-912, HNTs@NU-912-I and HNTs@UiO-66-NH2 composites were developed via an in situ growth method. The composites display more remarkable catalytic performance for the hydrolysis of DMNP than pure MOFs due to the nano-sized particles (<50 nm).
Production of neo acids from biomass-derived monomers
Authors: Andini Erha , Bragger Jake , Sadula Sunitha , Vlachos Dionisios G.
Published: April 2023

Neo acids are highly branched carboxylic acids currently produced from fossil fuels. In this work, we report a strategy to synthesize renewable neo acids with tailored molecular architecture from biomass-derived monomers.
Visible light-active binary metal ion containing functional triazine metallopolymers as a stable p-type photo-electrocatalyst in protic electrolytes
Authors: Vishwa Prashanth , Babbet Charles , Reddy Bhargav , Kotoky Debabrat , Gopinathan Sarada K. , Udachyan Iranna , R. S. Vishwanath , Kandaiah Sakthivel
Published: April 2023

Triazine-based visible light-active metal–organic coordination system for improved photoelectrochemical activity in protic electrolytes.
Development of a novel AIE active piperazine appended chemosensor for solvent-regulated selective detection of IIB elements [Zn(ii), Cd(ii), Hg(ii)], Cl− and picric acid via varying emission colors to distinguish one another: environmental and biological applications
Authors: Das Manik , Das Pranabendu , Ray Shubham , Bag Arijit , Laha Soumik , Choudhuri Indranil , Bhattacharya Nandan , Samanta Bidhan Chandra , Maity Tithi
Published: April 2023

Successful utilization of piperazine appended Schiff base chemosensor (HL) for selective recognition of Zn(ii) ion in 9 : 1 ethanol–water medium and Cd(ii), Hg(ii) in near aqueous medium among several competitive cations and their real applications.
Vinylene carbonate as a highly effective electrolyte additive for Li3VO4 anodes with enhanced electrochemical performance
Authors: Zhang Miaomiao , Pei Cunyuan , Ma Huijuan , Dai Zhongxu , Li Tao , Xiao Ting , Ni Shibing
Published: April 2023

LVO/C exhibits improved cycling stability of 82.9% capacity retention after 2000 cycles in the electrolyte with 1% VC addition, which is benefited from the stable and thinner SEI layer.
Visible-light-promoted C(sp3)–H thiolation of aliphatic ethers with thiosulfonates
Authors: Bi Wen-Zhu , Liu Qing-Pu , Li Chen-Yu , Zhang Wen-Jie , Feng Su-Xiang , Geng Yang , Chen Xiao-Lan , Qu Ling-Bo
Published: April 2023

Visible-light-promoted organic-dye-catalyzed synthesis of α-arylthioethers through direct thiolation of α-C(sp3)–H in aliphatic ethers with thiosulfonates at room temperature.
Improved strategies for ammonium vanadate-based zinc ion batteries
Authors: Li Le , Jia Shaofeng , Cheng Zhiyi , Zhang Changming
Published: April 2023

This article highlights the mechanisms and challenges of ammonium vanadate-based materials and summarizes the progress in improved strategies for high-performance zinc ion batteries.
A graphitic-C3N4 derivative containing heptazines merged with phenyls: synthesis, purification and application as a high-efficiency metal-free quasi-green phosphor for white LEDs
Authors: Tang Huaijun , Chen Qiuhong , Meng Guoyun , Lu Shiyou , Qin Jing , Yang Kaixin , Gao Long , Wang Zhengliang , He Yonghui
Published: April 2023

A g-C3N4 derivative containing heptazines merged with phenyls is synthesized from melamine and quinazoline-2,4(1H,3H)-dione and purified via vacuum sublimation, and then used as a high-efficiency metal-free quasi-green phosphor in white LEDs.
Exploring the chemical composition and coloring qualities of cacao fruit epicarp extracts
Authors: Oñate-Gutiérrez Jesús A. , Díaz-Sánchez Luis M. , Urbina Diana L. , Pinzón Julio R. , Blanco-Tirado Cristian , Combariza Marianny Y.
Published: April 2023

Cacao pod husks (CHs), the most abundant by-product of cacao beans production, can potentially become a source of functional ingredients for the food, cosmetic, and pharmaceutical industries.
A novel non-enzymatic electrochemical uric acid sensing method based on nanohydroxyapatite from eggshell biowaste immobilized on a zinc oxide nanoparticle modified activated carbon electrode (Hap-Esb/ZnONPs/ACE)
Authors: Wulandari Retno , Ardiansyah Ardi , Setiyanto Henry , Saraswaty Vienna
Published: April 2023

Hydroxyapatite from eggshells waste obtained by one stage of heating modified with ZnONPs on ACE (Hap-Esb/ZnONPs/ACE) can detect uric acid.
A DFT study on effective detection of ClCN gas by functionalized, decorated, and doped nanocone strategies
Authors: Kumar Anjan , Sayyed M. I. , Sabugaa Michael M. , Al-Bahrani Mohammed , Sharma Shilpa , Saadh Mohamed J.
Published: April 2023

Density Functional Theory (DFT) was employed to investigate the interaction between cyanogen chloride (ClCN) and the surface of a carbon nanocone (CNC).
Proton conducting metal–organic frameworks with light response for multistate logic gates
Authors: Xue Kainan , Hussain Shabab , Fan Shuaikang , Peng Xinsheng
Published: April 2023

Polystyrene sulfonate and sulfonated spiropyran co-modified copper tetrakis(4-carboxyphenyl)porphyrin (Cu-TCPP) membranes demonstrated optical-control proton-based multistate logic gates.
Isomerization and reaction process of N2O4(H2O)n
Authors: Guo Yi , Huang Zhiyong , Tian Gan , Wu Wei , Lin Jie , Chang Xinlong
Published: April 2023

The main reaction process of N2O4(H2O)n formed after N2O4 absorbs water from air (n = 1–3).
Nitrogen-interrupted halo-Prins/halo-Nazarov fragment coupling cascade for the synthesis of indolines
Authors: Milosavljevic Aleksa , Holt Connor , Frontier Alison J.
Published: April 2023

A nitrogen-interrupted halo-Prins/halo-Nazarov fragment coupling cascade is reported. The method couples simple building blocks to produce functionalized indolines with up to four contiguous stereocenters.
Quantifying selective solvent transport under an electric field in mixed-solvent electrolytes
Authors: Fang Chao , Halat David M. , Mistry Aashutosh , Reimer Jeffrey A. , Balsara Nitash P. , Wang Rui
Published: April 2023

Limitations of using the single-solvent approximation to quantify transport in mixed-solvent electrolytes are highlighted. A rigorous simulation approach to quantify selective solvent transport is presented and validated by electrophoretic NMR.
Accurate binding of porous aluminum molecular ring catalysts with the substrate
Authors: Luo Dan , Xiao Han , Zhang Min-Yi , Li Shang-Da , He Liang , Lv Hong , Li Chun-Sen , Lin Qi-Pu , Fang Wei-Hui , Zhang Jian
Published: April 2023

Porous aluminum molecular rings with central cavity and semi-open cavities facilitate the binding of substrates and further enhance the catalysis. The binding interactions evidence is supported by crystallography characterization and theory calculations.
Repurposing the current collector of a car battery module into a bifunctional electrode for overall electrochemical water splitting
Authors: Kaur Arshdeep , Khosravi Monireh , O'Mullane Anthony P.
Published: April 2023

Repurposing the anode current collector from a vehicle battery is a viable approach for creating an active and bifunctional electrocatalyst for electrochemical green hydrogen production.
Flows of a nonequilibrated aqueous two-phase system in a microchannel
Authors: Abbasi Niki , Nunes Janine K. , Pan Zehao , Dethe Tejas , Shum Ho Cheung , Košmrlj Andrej , Stone Howard A.
Published: April 2023

Flows of nonequilibrated aqueous two-phase systems may result in the formation of a 3-dimensional flow field, due to a gradient in tension across the boundary of the two phases.
Impact of process flexibility and imperfect forecasting on the operation and design of Haber–Bosch green ammonia
Authors: Salmon Nicholas , Bañares-Alcántara René
Published: April 2023

Inability to predict the weather, and to rapidly adjust the operating rate of Haber–Bosch synthesis, are major challenges for green ammonia production. This article assesses and provides methods for managing both challenges.
Synergistic effects of Au and PdOx on the solar-assisted catalytic ozonation of VOCs
Authors: Gao Junxian , Shen Zhizhang , Dong Yuming , Wang Zhenyu , Lyu Jinze , Li Ji , Yu Han-Qing
Published: April 2023

Au and PdOx show a synergistic effect on the CeO2 surface for the photo-assisted catalytic ozonation of toluene.
Water vapour and gas induced phase transformations in an 8-fold interpenetrated diamondoid metal–organic framework
Authors: Subanbekova Aizhamal , Nikolayenko Varvara I. , Bezrukov Andrey A. , Sensharma Debobroto , Kumar Naveen , O'Hearn Daniel J. , Bon Volodymyr , Wang Shi-Qiang , Koupepidou Kyriaki , Darwish Shaza , Kaskel Stefan , Zaworotko Michael J.
Published: April 2023

A diamondoid coordination network undergoes reversible heat, gas or vapour induced phase transformations between small pore and large pore structures.
Choline phosphate lipid-hitchhiked near-infrared BODIPY nanoparticles for enhanced phototheranostics
Authors: Geng Huafeng , Lin Wenhai , Liu Junbao , Pei Qing , Xie Zhigang
Published: April 2023

A theranostic nanoplatform (DBNPs) was developed via co-assembly of near infrared boron dipyrromethene and choline phosphate lipid. The elaborate molecular design and supramolecular assembly endowed DBNPs with desirable phototherapeutic effect.
Engineering ultrasound-activated piezoelectric hydrogels with antibacterial activity to promote wound healing
Authors: Xu Min , Wu Shaozhen , Ding Li , Lu Caijiao , Qian Huangjing , Qu Jinmiao , Chen Yu
Published: April 2023

The piezoelectric hydrogels exhibited superior antibacterial effectiveness, prevent wound infection, and could hasten the healing of full-thickness skin wounds.
A premixed magnesium phosphate-based sealer with anti-biofilm ability for root canal filling
Authors: Xu Dongjing , Liu Jiawei , Dai Honglian , Zhang Jinyong , Hou Wen , Wu Xiaopei , Zhao Yanan
Published: April 2023

In this work, a novel premixed root canal sealer based on magnesium phosphate was developed, which possesses advantages such as easy-to-use design, antibacterial properties, radiopaque properties, good sealing ability and cytocompatibility.
A small pore black TiO2/-large pore Fe3O4 cascade nanoreactor for chemodynamic/photothermal synergetic tumour therapy
Authors: Shi Yali , Chang Wenya , Zhao Liying , Zhang Jiaqi , Yue Yumeng , Xie Zhuoying , Deng Dawei
Published: April 2023

A special structural nanoreactor, namely an LOD-coated TiO2/–Fe3O4 cascade nanozyme, has been tailored and used for chemodynamic/photothermal synergetic tumor therapy.
Balancing gene transfection and cytotoxicity of nucleic acid carriers with focus on ocular and hepatic disorders: evaluation of hydrophobic and hydrophilic polyethyleneimine derivatives
Authors: de Oliveira Fernando A. , Albuquerque Lindomar J. C. , Nascimento-Sales Michelle , Christoffolete Marcelo A. , Bellettini Ismael C. , Giacomelli Fernando C.
Published: April 2023

This investigation highlights that ocular and hepatic gene delivery can be potentialized by using small hydrophobic moieties along with lactose domains, and principally, succinic acid conjugated to polyethylenimine chains.
Phosphate removal by ex situ generated Fe (hydr)oxides from scrap iron electrocoagulation: the critical role of coprecipitation
Authors: Xie Shiwei , Bai Zhengkang , Shao Wei , Wang Chen , Qin Jianglong , Liu Ze , Liao Peng
Published: April 2023

The in situ produced Fe (hydr)oxides by scrap iron electrocoagulation in a prepared NaCl electrolyte is facile and low-cost materials for phosphate sequestration in wastewater.
Machine learning in energy chemistry: introduction, challenges and perspectives
Authors: Xu Yuzhi , Ge Jiankai , Ju Cheng-Wei
Published: April 2023

This review explores machine learning's role in energy chemistry, spanning organic photovoltaics, perovskites, catalysis, and batteries, highlighting its potential to accelerate eco-friendly, sustainable energy development.
Adaptive p‐norm weighted cyclic algorithm‐new algorithm for designing unimodular multiple input multiple output radar waveforms with good correlations
Authors: Liu Tianqu , Sun Jinping , Wang Guohua , Du Xiaoyong , Hu Weidong
Published: April 2023

This letter formulates a high‐dimensional multi‐objective optimization model to minimize all correlation function values for multiple input multiple output (MIMO) radar waveforms. Then, to solve this problem, this letter proposes an adaptive weighted cyclic algorithm‐new (CAN), named p‐norm weighted cyclic algorithm‐new (p‐WeCAN). Specifically, the adaptive weight updating function is constructed using p‐norm to minimize peak side‐lobe level (PSL) and integrated side‐lobe level (ISL) simultaneously. Numerical results show that the p‐norm weighted cyclic algorithm‐new obtains similar PSL values as the best PSL minimization algorithm and low integrated side‐lobe level values close to its lower bound at the same time.
Multiregression spatially variant blur kernel estimation based on inter‐kernel consistency
Authors: Kim Min Hyuk , Yun Jun‐Seok , Yoo Seok Bong
Published: April 2023

Most single‐image super‐resolution (SR) models suffer from the degradation of image restoration performance when restoring a high‐resolution (HR) image from a low‐resolution (LR) image downscaled using an unknown blur kernel. The spatially invariant blur kernel estimators have been proposed to predict the blur kernel to address this issue. Nevertheless, the spatially variant blur exists in the real‐world; thus, these blur kernel estimators are unsuitable for real‐world applications. Although the spatially variant blur kernel estimators have been proposed, SR models still suffer from performance degradation because these estimators do neither consider the consistency between surrounding blur kernels nor refine non‐parametric blur kernels as parameters. To address this problem, the authors propose a multiregression spatially variant blur kernel estimation based on inter‐kernel consistency. The proposed estimator consists of three parts: non‐parametric regression, an inter‐kernel consistency block, and parametric regression. Specifically, it predicts spatially variant blur kernels while considering the inter‐kernel consistency between nearby blur kernels. Our source codes with pretrained models are available on https://github.com/alsgur0720/multiregression.
A mode switching based transient ride‐through phase‐locked loop
Authors: Fan Yiwen , Han Minxiao , Zhang Li , Wang Shuozhe , Sun Tiankui
Published: April 2023

In the case of grid voltage quality problems, the traditional phase‐locked loop (PLL) is hard to detect the accurate grid frequency and phase during the transient response, which will be detrimental to the transient synchronous stability of grid‐connected inverters. This paper proposes a mode switching based transient ride‐through PLL (TRT‐PLL), aiming to improve the transient phase‐locking performance through detection technique and mode switching. The TRT‐PLL incorporates a hybrid filter (HF), a dual‐speed detection module, and a state switch into the traditional synchronous reference frame PLL (SRF‐PLL) structure. The theoretical analysis and paradigm design of TRT‐PLL is presented in detail. Digital simulations and physical experiments are carried out for the comparisons with other existed PLL techniques. The results demonstrate that the satisfied transient performance of the TRT‐PLL has significant advantages, especially in the event of phase jumps.
Population study on MHD wind-driven disc evolution
Authors: Weder Jesse , Mordasini Christoph , Emsenhuber Alexandre
Published: April 2023

Context. Current research has established magnetised disc winds as a promising way of driving accretion in protoplanetary discs.

Aims. We investigate the evolution of large protoplanetary disc populations under the influence of magnetically driven disc winds as well as internal and external photoevaporation. We aim to constrain magnetic disc wind models through comparisons with observations.

Methods. We ran 1D vertically integrated evolutionary simulations for low-viscosity discs, including magnetic braking and various outflows. The initial conditions were varied and chosen to produce populations that are representative of actual disc populations inferred from observations. We then compared the observables from the simulations (e.g. stellar accretion rate, disc mass evolution, disc lifetime, etc.) with observational data.

Results. Our simulations show that to reach stellar accretion rates comparable to those found by observations (~10−8 M⊙ yr−1), it is necessary to have access not only to strong magnetic torques, but weak magnetic winds as well. The presence of a strong magnetic disc wind, in combination with internal photoevaporation, leads to the rapid opening of an inner cavity early on, allowing the stellar accretion rate to drop while the disc is still massive. Furthermore, our model supports the notion that external photoevaporation via the ambient far-ultraviolet radiation of surrounding stars is a driving force in disc evolution and could potentially exert a strong influence on planetary formation.

Conclusions. Our disc population syntheses show that for a subset of magnetohydrodynamic wind models (weak disc wind, strong torque), it is possible to reproduce important statistical observational constraints. The magnetic disc wind paradigm thus represents a novel and appealing alternative to the classical α-viscosity scenario.
Influence of compaction on the soil shrinkage and swelling curves
Authors: Encalada David , Najdi Abdallah , Mendes Joao , Prat Pere , Ledesma Alberto
Published: April 2023

The behaviour of soils undergoing deformation due to changes in water content can be described using Soil Shrinkage Curves (SSCs). The SSCs are normally influenced by several factors as the soil’s fabric, different compaction levels, residual void ratio, and the shrinkage limit. In this study, shrinkage curves at different compaction levels were obtained using both wax coating and image analysis as volumetric quantification methods. Both techniques returned consistent results. To fit the obtained experimental data, a single equation is proposed with fitting parameters pertaining to the physical characteristics of the soil samples used. The use of Mercury Intrusion Porosimetry (MIP) is also incorporated to further analyse the structure of the soils being studied. The effect of the drying path on the structure was more apparent in the size range of 100-2000 nm. The effects of compaction on soil structure and shrinkage behaviour were also discussed in the study. The presented work provides valuable insights on the effect of different compaction levels on the soil shrinkage behaviour.
Comparing the trend of Vsat similar range of saturated and unsaturated stress state variables
Authors: Cheng Zhuoyuan , Leong Eng Choon
Published: April 2023

The effect of matric suction on S-wave velocity (Vs) of unsaturated soils has been observed to show different trends from the Vs relationship with effective confining pressure. In some soils, the increase in S-wave velocity per unit stress change in matric suction (ua-uw) is greater than the increase in S-wave velocity per unit stress change in effective confining pressure (σ’3) for saturated and dry soils and vice versa for other soils. In this study, the difference was examined through the stress state variables for unsaturated soils on similar soil samples. Experiments were conducted on sand and kaolin specimens using a triaxial cell modified to include bender elements and a high-air-entry disk for the testing of unsaturated soils. The soil specimens were first fully saturated and Vsat various effective confining pressures were measured. The tests were repeated with similar soil specimens subjected to net confining pressure and matric suction for similar stress range as the previous tests. Data was also collated from the literature. Comparisons were made by plotting on two-dimensional and three-dimensional plots to understand the differences. It was found that soil type and soil fabric play important role in the differences. Soil fabric plays a more important role for compacted soils where soil fabric is affected by the compaction water content.
Mechanical properties hysteresis of unsaturated granular soil
Authors: Chiasson Paul , Tamégnon Horace
Published: April 2023

The soil-water characteristic curve reveals that the studied very dense crushed sand and gravel proves unable to maintain a saturated state under a positive matric suction. Capillary physics explains how this could result from the presence of millimetre size pores. An innovative pendular model gives insight on why consolidated drained triaxial tests give higher mechanical properties after drying followed by wetting than after drying alone. The model shows how particle tilting induced by shearing may squeeze pendular water into the funicular regime and provoke drainage as observed during both contraction and dilation phases. It also highlights that particle tilting produces changes of matric suction within pendular water and why dilation increases with applied matric suction while confinement stress yields the opposite.
The laterally confined consolidation of initially compacted and wetted swelling clay
Authors: Nachum Shay , Frydman Sam , Talesnick Mark
Published: April 2023

This paper describes the laterally confined consolidation of an Israeli clay following compaction and swelling on wetting, including the measurement of lateral stresses. The results of the tests are compared to those obtained during consolidation of the clay from an initially slurried condition. In comparing the compression and expansion indices relative to vertical, lateral and mean stress, it was found that they varied, depending on the initial, preparation conditions; the values approached the slurried values with decreasing initial dry density. During unloading, the expansion indices were found to be independent of initial conditions, and essentially the same as those of the slurried soil. The coefficient of lateral earth pressure at rest during loading, K0, of the compacted and then wetted specimens was found to be reasonably constant regardless of initial soil conditions, but significantly higher than the value of the slurried soil. However, during unloading, the relationship between the normalized coefficients of lateral earth pressure at rest, K0'/K0, and the overconsolidation ratio, OCR, was found to be essentially the same as that obtained for the slurried soil.
Defining a generic accelerated erosion testing method for earthen materials
Authors: Beckett Christopher , Faria Paulina
Published: April 2023

The 1952 CSIRO accelerated erosion test was the first to appraise the quality and potential longevity of earthen construction materials. The test measures the depth of erosion resulting from a spray of water delivered at a set pressure and distance from a nozzle of controlled geometry. The test has remained popular, due to its simplicity, and forms the basis of the design for durability in the current New Zealand earthen construction standards (and their derivatives). However, it is now recognised that the accelerated erosion test does not capture the full range of exposure conditions likely to affect an earthen structure during its lifetime. As such, academics and practitioners have suggested variations to the test, to reproduce erosion which is observed in the field. However, this makes it difficult to compare the results of one test to another, and so prevents any standardised material assessment. As earthen construction materials grow in interest in the unsaturated soils community, it is becoming necessary to understand and explore the limitations of these materials beyond their hydromechanical properties and to compare results between investigations fairly. This paper presents the concept of a ‘generic’ accelerated erosion test method and examines the effect of the spray pressure and spray distance on the erosive force delivered to the test specimen, to understand how these variables could be normalised. The generic method, when developed, will remove the strict restrictions of the original apparatus, making the test universally accessible.
Large cell triaxial tests of a partially saturated soil with vegetation
Authors: Fraccica Alessandro , Romero Enrique , Fourcaud Thierry
Published: April 2023

The use of vegetation roots as a nature-based solution against landslides and erosion requires the definition of sample preparation protocols and adoption of equipment that allows testing representative elementary volumes of the whole soil-root system. For this purpose, large cell triaxial compression tests were carried out on fallow and vegetated samples at different degrees of saturation. Samples were prepared by static compaction of a silty sand and seeded with Cynodon dactylon. The hydraulic state during plants growth was controlled and reproduced on bare soil samples. After isotropic compressions, the shearing phase was carried out at very low confining stresses (i.e., below 50 kPa). Tests were deemed to be comparable by assessing the normalised volume of roots with respect to soil, after shearing. For a given confining stress, soil samples with higher matric suction exhibited higher shear strength, furtherly increased by roots. The stress-strain behaviour observed in the vegetated soil systematically changed, when comparing tests at low and high matric suction values, due to the different mechanisms of vegetation reinforcement depending on the hydraulic state at the soil-root interface. The results were successfully interpreted within a failure criterion and skeleton stress framework for partially saturated soils, considering soil suction, degree of saturation, soil microstructure and the normalised volume of roots.
Irreversible effects of drying-wetting cycles on shrinkage and water retention of compacted London clay
Authors: Dias Ana Sofia , Hughes Paul , Toll David
Published: April 2023

Long-linear assets, such as roads and railways, supported by earthworks are susceptible to deterioration caused by weather cycles, that translate into changes in soil hydro-mechanical properties. Failures in these earthworks are expected to become more common due to climate change as periods of drought and extreme rainfall events become more frequent. In the present study, the effect of the suction range of the moisture cycle on the soil-water retention curve (SWRC) and soil shrink-swell curve (SSC) of active London clay is investigated. Soil samples compacted at Proctor optimum conditions were subjected to drying-wetting cycles within a variable suction interval. A change in the SSC was observed when the water content reduced below a threshold that approximates to the shrinkage limit. A reduction in the ability of the soil to hold suction was observed with SWRCs becoming less steep, as the Primary Drying Line was steeper than subsequent drying phases (Scanning Drying Lines). Once the Scanning Drying Line intersects the Primary Drying Line, a yielding point is identified, and the soil loses further ability to hold suction. Irreversible deformations were observed associated with changes in the SWRC from drying-wetting cycles.
An analytical method to evaluate the capacity of laterally loaded piles in unsaturated soils
Authors: Lalicata Leonardo Maria , Bruno Agostino Walter , Gallipoli Domenico
Published: April 2023

The growing pressures of climate change, increased usage and unprecedented geo-hazards impose a modification in the way civil engineering structures are designed and constructed. This isparticularly true for geotechnical works, which are very sensitive to changes of environmental conditions. For instance, the response of a pile under lateral loading is strongly influenced by the stiffness and strength of the first few metres of soil below the surface, which are often partly saturated. To consider this effect, the present paper describes an analytical method, which extends the well-known Broms approach to predict thelateral capacity of piles in unsaturated soils. More specifically, the proposed method considers the combined effects of the position of the ground water table and the extra strength of the partially saturated soil above it. Compared to Broms approach, the solution introduces four additional non-dimensional parameters that relate the soil-water retention behaviour to the geometry of the pile. The method provides a direct evaluation of the lateral pile capacity in partly saturated soils, which can be used as a basis for more accurate design.