bluuebunny/crossref_metadata_2025 huggingface dataset:
The divisome but not the elongasome organizes capsule synthesis in Streptococcus pneumoniae
Authors: Nakamoto Rei , Bamyaci Sarp , Blomqvist Karin , Normark Staffan , Henriques-Normark Birgitta , Sham Lok-To
Published: June 2023

The bacterial cell envelope consists of multiple layers, including the peptidoglycan cell wall, one or two membranes, and often an external layer composed of capsular polysaccharides (CPS) or other components. How the synthesis of all these layers is precisely coordinated remains unclear. Here, we identify a mechanism that coordinates the synthesis of CPS and peptidoglycan in Streptococcus pneumoniae. We show that CPS synthesis initiates from the division septum and propagates along the long axis of the cell, organized by the tyrosine kinase system CpsCD. CpsC and the rest of the CPS synthesis complex are recruited to the septum by proteins associated with the divisome (a complex involved in septal peptidoglycan synthesis) but not the elongasome (involved in peripheral peptidoglycan synthesis). Assembly of the CPS complex starts with CpsCD, then CpsA and CpsH, the glycosyltransferases, and finally CpsJ. Remarkably, targeting CpsC to the cell pole is sufficient to reposition CPS synthesis, leading to diplococci that lack CPS at the septum. We propose that septal CPS synthesis is important for chain formation and complement evasion, thereby promoting bacterial survival inside the host.
Mechanism for fluctuating pair density wave
Authors: Setty Chandan , Fanfarillo Laura , Hirschfeld P. J.
Published: June 2023

In weakly coupled BCS superconductors, only electrons within a tiny energy window around the Fermi energy,EF, form Cooper pairs. This may not be the case in strong coupling superconductors such as cuprates, FeSe, SrTiO3or cold atom condensates where the pairing scale,EB, becomes comparable or even larger thanEF. In cuprates, for example, a plausible candidate for the pseudogap state at low doping is a fluctuating pair density wave, but no microscopic model has yet been found which supports such a state. In this work, we write an analytically solvable model to examine pairing phases in the strongly coupled regime and in the presence of anisotropic interactions. Already for moderate coupling we find an unusual finite temperature phase, below an instability temperatureTi, where local pair correlations have non-zero center-of-mass momentum but lack long-range order. At low temperature, this fluctuating pair density wave can condense either to a uniformd-wave superconductor or the widely postulated pair-density wave phase depending on the interaction strength. Our minimal model offers a unified framework to understand the emergence of both fluctuating and long range pair density waves in realistic systems.
High-rate and selective conversion of CO2 from aqueous solutions to hydrocarbons
Authors: Obasanjo Cornelius A. , Gao Guorui , Crane Jackson , Golovanova Viktoria , García de Arquer F. Pelayo , Dinh Cao-Thang
Published: June 2023

Electrochemical carbon dioxide (CO2) conversion to hydrocarbon fuels, such as methane (CH4), offers a promising solution for the long-term and large-scale storage of renewable electricity. To enable this technology, CO2-to-CH4conversion must achieve high selectivity and energy efficiency at high currents. Here, we report an electrochemical conversion system that features proton-bicarbonate-CO2mass transport management coupled with an in-situ copper (Cu) activation strategy to achieve high CH4selectivity at high currents. We find that open matrix Cu electrodes sustain sufficient local CO2concentration by combining both dissolved CO2and in-situ generated CO2from the bicarbonate. In-situ Cu activation through alternating current operation renders and maintains the catalyst highly selective towards CH4. The combination of these strategies leads to CH4Faradaic efficiencies of over 70% in a wide current density range (100 – 750 mA cm-2) that is stable for at least 12 h at a current density of 500 mA cm-2. The system also delivers a CH4concentration of 23.5% in the gas product stream.
Seasonal catchment memory of high mountain rivers in the Tibetan Plateau
Authors: Gu Haiting , Xu Yue-Ping , Liu Li , Xie Jingkai , Wang Lu , Pan Suli , Guo Yuxue
Published: June 2023

Rivers originating in the Tibetan Plateau are crucial to the population in Asia. However, research about quantifying seasonal catchment memory of these rivers is still limited. Here, we propose a model able to accurately estimate terrestrial water storage change (TWSC), and characterize catchment memory processes and durations using the memory curve and the influence/domination time, respectively. By investigating eight representative basins of the region, we find that the seasonal catchment memory in precipitation-dominated basins is mainly controlled by precipitation, and that in non-precipitation-dominated basins is strongly influenced by temperature. We further uncover that in precipitation-dominated basins, longer influence time corresponds to longer domination time, with the influence/domination time of approximately six/four months during monsoon season. In addition, the long-term catchment memory is observed in non-precipitation-dominated basins. Quantifying catchment memory can identify efficient lead times for seasonal streamflow forecasts and water resource management.
Cadmium, von Willebrand factor and vascular aging
Authors: Wang Xia , Starodubtseva Maria N. , Kapron Carolyn M. , Liu Ju
Published: June 2023

Vascular aging is a major contributing factor to cardiovascular disease. The aged blood vessels, characterized by vascular wall thickening and stiffening, are instigated by endothelial cell dysfunction induced by oxidative stress and inflammation. von Willebrand Factor (vWF) is a glycoprotein known for its role in coagulation, and plasma levels of vWF are increased with age. Elevated vWF promotes thrombosis, atherosclerotic plaque formation, inflammation and proliferation of vascular smooth muscle cells. Cadmium (Cd) is an environmental pollutant associated with increased morbidity and mortality of cardiovascular disease. At low concentrations, Cd activates pro-survival signaling in endothelial cells, however enhances intima-media thickness and atherogenesis. A non-cytotoxic dose of Cd also increases endothelial vWF expression and secretion in vivo and in vitro. In this review, we summarize the molecular mechanisms underlying vWF-promoted vascular aging-associated pathologies and Cd-induced vWF expression. In addition, we propose that exposure to low-dose Cd is a risk factor for vascular aging, through elevation of plasma vWF.
Qubit-controlled directional edge states in waveguide QED
Authors: Pakkiam Prasanna , Kumar N. Pradeep , Pletyukhov Mikhail , Fedorov Arkady
Published: June 2023

We propose an in-situ tunable chiral quantum system, composed of a quantum emitter coupled to a waveguide based on the Rice-Mele model (where we alternate both the on-site potentials and tunnel couplings between sites in the waveguide array). Specifically, we show that the chirality of photonic bound state, that emerges in the bandgap of the waveguide, depends only on the energy of the qubit; a parameter that is easy to tune in many artificial atoms. In contrast to previous proposals that have either shown imperfect chirality or fixed directionality, our waveguide quantum electrodynamics scheme achieves both perfect chirality and the capability to switch the directionality on demand with just one tunable element in the device. We also show that our model is easy to implement in both state-of-the-art superconducting circuit and quantum dot architectures. The results show technological promise in creating long-range couplers between qubits while maintaining, in principle, zero crosstalk.
Bismuth radical catalysis in the activation and coupling of redox-active electrophiles
Authors: Mato Mauro , Spinnato Davide , Leutzsch Markus , Moon Hye Won , Reijerse Edward J. , Cornella Josep
Published: June 2023

Radical cross-coupling reactions represent a revolutionary tool to make C(sp3)–C and C(sp3)–heteroatom bonds by means of transition metals and photoredox or electrochemical approaches. However, the use of main-group elements to harness this type of reactivity has been little explored. Here we show how a low-valency bismuth complex is able to undergo one-electron oxidative addition with redox-active alkyl-radical precursors, mimicking the behaviour of first-row transition metals. This reactivity paradigm for bismuth gives rise to well-defined oxidative addition complexes, which could be fully characterized in solution and in the solid state. The resulting Bi(III)–C(sp3) intermediates display divergent reactivity patterns depending on the α-substituents of the alkyl fragment. Mechanistic investigations of this reactivity led to the development of a bismuth-catalysed C(sp3)–N cross-coupling reaction that operates under mild conditions and accommodates synthetically relevant NH-heterocycles as coupling partners.
Increasingly negative tropical water–interannual CO2 growth rate coupling
Authors: Liu Laibao , Ciais Philippe , Wu Mengxi , Padrón Ryan S. , Friedlingstein Pierre , Schwaab Jonas , Gudmundsson Lukas , Seneviratne Sonia I.
Published: May 2023

Terrestrial ecosystems have taken up about 32% of the total anthropogenic CO2 emissions in the past six decades1. Large uncertainties in terrestrial carbon–climate feedbacks, however, make it difficult to predict how the land carbon sink will respond to future climate change2. Interannual variations in the atmospheric CO2 growth rate (CGR) are dominated by land–atmosphere carbon fluxes in the tropics, providing an opportunity to explore land carbon–climate interactions3–6. It is thought that variations in CGR are largely controlled by temperature7–10 but there is also evidence for a tight coupling between water availability and CGR11. Here, we use a record of global atmospheric CO2, terrestrial water storage and precipitation data to investigate changes in the interannual relationship between tropical land climate conditions and CGR under a changing climate. We find that the interannual relationship between tropical water availability and CGR became increasingly negative during 1989–2018 compared to 1960–1989. This could be related to spatiotemporal changes in tropical water availability anomalies driven by shifts in El Niño/Southern Oscillation teleconnections, including declining spatial compensatory water effects9. We also demonstrate that most state-of-the-art coupled Earth System and Land Surface models do not reproduce the intensifying water–carbon coupling. Our results indicate that tropical water availability is increasingly controlling the interannual variability of the terrestrial carbon cycle and modulating tropical terrestrial carbon–climate feedbacks.
Axonemal structures reveal mechanoregulatory and disease mechanisms
Authors: Walton Travis , Gui Miao , Velkova Simona , Fassad Mahmoud R. , Hirst Robert A. , Haarman Eric , O’Callaghan Christopher , Bottier Mathieu , Burgoyne Thomas , Mitchison Hannah M. , Brown Alan
Published: May 2023

Motile cilia and flagella beat rhythmically on the surface of cells to power the flow of fluid and to enable spermatozoa and unicellular eukaryotes to swim. In humans, defective ciliary motility can lead to male infertility and a congenital disorder called primary ciliary dyskinesia (PCD), in which impaired clearance of mucus by the cilia causes chronic respiratory infections1. Ciliary movement is generated by the axoneme, a molecular machine consisting of microtubules, ATP-powered dynein motors and regulatory complexes2. The size and complexity of the axoneme has so far prevented the development of an atomic model, hindering efforts to understand how it functions. Here we capitalize on recent developments in artificial intelligence-enabled structure prediction and cryo-electron microscopy (cryo-EM) to determine the structure of the 96-nm modular repeats of axonemes from the flagella of the alga Chlamydomonas reinhardtii and human respiratory cilia. Our atomic models provide insights into the conservation and specialization of axonemes, the interconnectivity between dyneins and their regulators, and the mechanisms that maintain axonemal periodicity. Correlated conformational changes in mechanoregulatory complexes with their associated axonemal dynein motors provide a mechanism for the long-hypothesized mechanotransduction pathway to regulate ciliary motility. Structures of respiratory-cilia doublet microtubules from four individuals with PCD reveal how the loss of individual docking factors can selectively eradicate periodically repeating structures.
A broadband thermal emission spectrum of the ultra-hot Jupiter WASP-18b
Authors: Coulombe Louis-Philippe , Benneke Björn , Challener Ryan , Piette Anjali A. A. , Wiser Lindsey S. , Mansfield Megan , MacDonald Ryan J. , Beltz Hayley , Feinstein Adina D. , Radica Michael , Savel Arjun B. , Dos Santos Leonardo A. , Bean Jacob L. , Parmentier Vivien , Wong Ian , Rauscher Emily , Komacek Thaddeus D. , Kempton Eliza M.-R. , Tan Xianyu , Hammond Mark , Lewis Neil T. , Line Michael R. , Lee Elspeth K. H. , Shivkumar Hinna , Crossfield Ian J. M. , Nixon Matthew C. , Rackham Benjamin V. , Wakeford Hannah R. , Welbanks Luis , Zhang Xi , Batalha Natalie M. , Berta-Thompson Zachory K. , Changeat Quentin , Désert Jean-Michel , Espinoza Néstor , Goyal Jayesh M. , Harrington Joseph , Knutson Heather A. , Kreidberg Laura , López-Morales Mercedes , Shporer Avi , Sing David K. , Stevenson Kevin B. , Aggarwal Keshav , Ahrer Eva-Maria , Alam Munazza K. , Bell Taylor J. , Blecic Jasmina , Caceres Claudio , Carter Aarynn L. , Casewell Sarah L. , Crouzet Nicolas , Cubillos Patricio E. , Decin Leen , Fortney Jonathan J. , Gibson Neale P. , Heng Kevin , Henning Thomas , Iro Nicolas , Kendrew Sarah , Lagage Pierre-Olivier , Leconte Jérémy , Lendl Monika , Lothringer Joshua D. , Mancini Luigi , Mikal-Evans Thomas , Molaverdikhani Karan , Nikolov Nikolay K. , Ohno Kazumasa , Palle Enric , Piaulet Caroline , Redfield Seth , Roy Pierre-Alexis , Tsai Shang-Min , Venot Olivia , Wheatley Peter J.
Published: May 2023

Close-in giant exoplanets with temperatures greater than 2,000 K (‘ultra-hot Jupiters’) have been the subject of extensive efforts to determine their atmospheric properties using thermal emission measurements from the Hubble Space Telescope (HST) and Spitzer Space Telescope1–3. However, previous studies have yielded inconsistent results because the small sizes of the spectral features and the limited information content of the data resulted in high sensitivity to the varying assumptions made in the treatment of instrument systematics and the atmospheric retrieval analysis3–12. Here we present a dayside thermal emission spectrum of the ultra-hot Jupiter WASP-18b obtained with the NIRISS13instrument on the JWST. The data span 0.85 to 2.85 μm in wavelength at an average resolving power of 400 and exhibit minimal systematics. The spectrum shows three water emission features (at >6σconfidence) and evidence for optical opacity, possibly attributable to H−, TiO and VO (combined significance of 3.8σ). Models that fit the data require a thermal inversion, molecular dissociation as predicted by chemical equilibrium, a solar heavy-element abundance (‘metallicity’,$${\rm{M/H}}=1.0{3}_{-0.51}^{+1.11}$$M/H=1.03−0.51+1.11times solar) and a carbon-to-oxygen (C/O) ratio less than unity. The data also yield a dayside brightness temperature map, which shows a peak in temperature near the substellar point that decreases steeply and symmetrically with longitude towards the terminators.
MOSAIC - A Unified Trait Database to Complement Structured Population Models
Authors: Bernard Connor , Santos Gabriel Silva , Deere Jacques A. , Rodriguez-Caro Roberto , Capdevila Pol , Kusch Erik , Gascoigne Samuel J. L. , Jackson John , Salguero-Gómez Roberto
Published: June 2023

Despite exponential growth in ecological data availability, broader interoperability amongst datasets is needed to unlock the potential of open access. Our understanding of the interface of demography and functional traits is well-positioned to benefit from such interoperability. Here, we introduce MOSAIC, an open-access trait database that unlocks the demographic potential stored in the COMADRE, COMPADRE, and PADRINO open-access databases. MOSAIC data were digitised and curated through a combination of existing datasets and new trait records sourced from primary literature. In its first release, MOSAIC (v. 1.0.0) includes 14 trait fields for 300 animal and plant species: biomass, height, growth determination, regeneration, sexual dimorphism, mating system, hermaphrodism, sequential hermaphrodism, dispersal capacity, type of dispersal, mode of dispersal, dispersal classes, volancy, and aquatic habitat dependency. MOSAIC includes species-level phylogenies for 1,359 species and population-specific climate data. We identify how database integration can improve our understanding of traits well-quantified in existing repositories and those that are poorly quantified (e.g., growth determination, modularity). MOSAIC highlights emerging challenges associated with standardising databases and demographic measures.
A labeled dataset for building HVAC systems operating in faulted and fault-free states
Authors: Granderson Jessica , Lin Guanjing , Chen Yimin , Casillas Armando , Wen Jin , Chen Zhelun , Im Piljae , Huang Sen , Ling Jiazhen
Published: June 2023

Open data is fueling innovation across many fields. In the domain of building science, datasets that can be used to inform the development of operational applications - for example new control algorithms and performance analysis methods - are extremely difficult to come by. This article summarizes the development and content of the largest known public dataset of building system operations in faulted and fault free states. It covers the most common HVAC systems and configurations in commercial buildings, across a range of climates, fault types, and fault severities. The time series points that are contained in the dataset include measurements that are commonly encountered in existing buildings as well as some that are less typical. Simulation tools, experimental test facilities, and in-situ field operation were used to generate the data. To inform more data-hungry algorithms, most of the simulated data cover a year of operation for each fault-severity combination. The data set is a significant expansion of that first published by the lead authors in 2020.
Automated LVO detection and collateral scoring on CTA using a 3D self-configuring object detection network: a multi-center study
Authors: Bagcilar Omer , Alis Deniz , Alis Ceren , Seker Mustafa Ege , Yergin Mert , Ustundag Ahmet , Hikmet Emil , Tezcan Alperen , Polat Gokhan , Akkus Ahmet Tugrul , Alper Fatih , Velioglu Murat , Yildiz Omer , Selcuk Hakan Hatem , Oksuz Ilkay , Kizilkilic Osman , Karaarslan Ercan
Published: May 2023

The use of deep learning (DL) techniques for automated diagnosis of large vessel occlusion (LVO) and collateral scoring on computed tomography angiography (CTA) is gaining attention. In this study, a state-of-the-art self-configuring object detection network called nnDetection was used to detect LVO and assess collateralization on CTA scans using a multi-task 3D object detection approach. The model was trained on single-phase CTA scans of 2425 patients at five centers, and its performance was evaluated on an external test set of 345 patients from another center. Ground-truth labels for the presence of LVO and collateral scores were provided by three radiologists. The nnDetection model achieved a diagnostic accuracy of 98.26% (95% CI 96.25–99.36%) in identifying LVO, correctly classifying 339 out of 345 CTA scans in the external test set. The DL-based collateral scores had a kappa of 0.80, indicating good agreement with the consensus of the radiologists. These results demonstrate that the self-configuring 3D nnDetection model can accurately detect LVO on single-phase CTA scans and provide semi-quantitative collateral scores, offering a comprehensive approach for automated stroke diagnostics in patients with LVO.
Clustering of clinical and echocardiographic phenotypes of covid-19 patients
Authors: Shpigelman Eran , Hochstadt Aviram , Coster Dan , Merdler Ilan , Ghantous Eihab , Szekely Yishay , Lichter Yael , Taieb Philippe , Banai Ariel , Sapir Orly , Granot Yoav , Lupu Lior , Borohovitz Ariel , Sadon Sapir , Banai Shmuel , Rubinshtein Ronen , Topilsky Yan , Shamir Ron
Published: May 2023

We sought to divide COVID-19 patients into distinct phenotypical subgroups using echocardiography and clinical markers to elucidate the pathogenesis of the disease and its heterogeneous cardiac involvement. A total of 506 consecutive patients hospitalized with COVID-19 infection underwent complete evaluation, including echocardiography, at admission. A k-prototypes algorithm applied to patients' clinical and imaging data at admission partitioned the patients into four phenotypical clusters: Clusters 0 and 1 were younger and healthier, 2 and 3 were older with worse cardiac indexes, and clusters 1 and 3 had a stronger inflammatory response. The clusters manifested very distinct survival patterns (C-index for the Cox proportional hazard model 0.77), with survival best for cluster 0, intermediate for 1–2 and worst for 3. Interestingly, cluster 1 showed a harsher disease course than cluster 2 but with similar survival. Clusters obtained with echocardiography were more predictive of mortality than clusters obtained without echocardiography. Additionally, several echocardiography variables (E′ lat, E′ sept, E/e average) showed high discriminative power among the clusters. The results suggested that older infected males have a higher chance to deteriorate than older infected females. In conclusion, COVID-19 manifests differently for distinctive clusters of patients. These clusters reflect different disease manifestations and prognoses. Although including echocardiography improved the predictive power, its marginal contribution over clustering using clinical parameters only does not justify the burden of echocardiography data collection.
Controlling fluidic oscillator flow dynamics by elastic structure vibration
Authors: Loe Innocentio A. , Zheng Tianyi , Kotani Kiyoshi , Jimbo Yasuhiko
Published: May 2023

In this study, we introduce a design of a feedback-type fluidic oscillator with elastic structures surrounding its feedback channel. By employing phase reduction theory, we extract the phase sensitivity function of the complex fluid–structure coupled system, which represents the system’s oscillatory characteristics. We show that the frequency of the oscillating flow inside the fluidic oscillator can be modulated by inducing synchronization with the weak periodic forcing from the elastic structure vibration. This design approach adds controllability to the fluidic oscillator, where conventionally, the intrinsic oscillatory characteristics of such device were highly determined by its geometry. The synchronization-induced control also changes the physical characteristics of the oscillatory fluid flow, which can be beneficial for practical applications, such as promoting better fluid mixing without changing the overall geometry of the device. Furthermore, by analyzing the phase sensitivity function, we demonstrate how the use of phase reduction theory gives good estimation of the synchronization condition with minimal number of experiments, allowing for a more efficient control design process. Finally, we show how an optimal control signal can be designed to reach the fastest time to synchronization.
Enhancement of gallium nitride on silicon (111) using pulse atomic-layer epitaxy (PALE) AlN with composition-graded AlGaN buffer
Authors: Mansor Marwan , Norhaniza Rizuan , Shuhaimi Ahmad , Hisyam Muhammad Iznul , Omar Al-Zuhairi , Williams Adam , Mat Hussin Mohd Rofei
Published: May 2023

The ability to configure the optimal buffer layer for GaN growth depends on the knowledge of relaxation processes that occurs during the cooling step while countering the tensile stresses due to the contrast of thermal expansion coefficient between GaN and Si(111) substrate. Here, we inaugurate the pulse atomic-layer epitaxy (PALE) AlN layer to reinforce the buffer layer to achieve a thick GaN epilayer which is crucial for high performance power devices. The characteristics of grown GaN on Si substrate based on PALE AlN thickness of 0 ~ 100 nm are investigated along with microstructural evolution between AlN NL and composition-graded AlGaN buffer layer. PALE AlN layer deposited with an optimum thickness of 50 nm and above was observed to exhibit a highly uniform coalesced GaN epilayer surface with root-mean square (RMS) roughness of 0.512 nm. The thickness of the PALE AlN layer substantially affected the crystallinity of the top GaN epilayer where the lowest value for symmetric (0 0 0 2) and asymmetric (1 0 -1 2) x-ray rocking curve analysis were achieved, indicating the reduction of threading dislocation density in the growth structure. Transition of the E2 (high) peak from the Raman spectrum shows that the strain compression in GaN epilayer is directly proportional to the thickness of the PALE AlN layer.
A tile model of circuit topology for self-entangled biopolymers
Authors: Flapan Erica , Mashaghi Alireza , Wong Helen
Published: June 2023

Building on the theory of circuit topology for intra-chain contacts in entangled proteins, we introduce tiles as a way to rigorously model local entanglements which are held in place by molecular forces. We develop operations that combine tiles so that entangled chains can be represented by algebraic expressions. Then we use our model to show that the only knot types that such entangled chains can have are $$3_1$$

3
1

, $$4_1$$

4
1

, $$5_1$$

5
1

, $$5_2$$

5
2

, $$6_1$$

6
1

, $$6_2$$

6
2

, $$6_3$$

6
3

, $$7_7$$

7
7

, $$8_{12}$$

8
12

and connected sums of these knots. This includes all proteins knots that have thus far been identified.
A new bio-inspired metaheuristic algorithm for solving optimization problems based on walruses behavior
Authors: Trojovský Pavel , Dehghani Mohammad
Published: May 2023

This paper introduces a new bio-inspired metaheuristic algorithm called Walrus Optimization Algorithm (WaOA), which mimics walrus behaviors in nature. The fundamental inspirations employed in WaOA design are the process of feeding, migrating, escaping, and fighting predators. The WaOA implementation steps are mathematically modeled in three phases exploration, migration, and exploitation. Sixty-eight standard benchmark functions consisting of unimodal, high-dimensional multimodal, fixed-dimensional multimodal, CEC 2015 test suite, and CEC 2017 test suite are employed to evaluate WaOA performance in optimization applications. The optimization results of unimodal functions indicate the exploitation ability of WaOA, the optimization results of multimodal functions indicate the exploration ability of WaOA, and the optimization results of CEC 2015 and CEC 2017 test suites indicate the high ability of WaOA in balancing exploration and exploitation during the search process. The performance of WaOA is compared with the results of ten well-known metaheuristic algorithms. The results of the simulations demonstrate that WaOA, due to its excellent ability to balance exploration and exploitation, and its capacity to deliver superior results for most of the benchmark functions, has exhibited a remarkably competitive and superior performance in contrast to other comparable algorithms. In addition, the use of WaOA in addressing four design engineering issues and twenty-two real-world optimization problems from the CEC 2011 test suite demonstrates the apparent effectiveness of WaOA in real-world applications. The MATLAB codes of WaOA are available in https://uk.mathworks.com/matlabcentral/profile/authors/13903104.
Extracellular vesicles secreted by Brugia malayi microfilariae modulate the melanization pathway in the mosquito host
Authors: Loghry Hannah J. , Kwon Hyeogsun , Smith Ryan C. , Sondjaja Noelle A. , Minkler Sarah J. , Young Sophie , Wheeler Nicolas J. , Zamanian Mostafa , Bartholomay Lyric C. , Kimber Michael J.
Published: May 2023

Vector-borne, filarial nematode diseases cause significant disease burdens in humans and domestic animals worldwide. Although there is strong direct evidence of parasite-driven immunomodulation of mammalian host responses, there is less evidence of parasite immunomodulation of the vector host. We have previously reported that all life stages of Brugia malayi, a filarial nematode and causative agent of Lymphatic filariasis, secrete extracellular vesicles (EVs). Here we investigate the immunomodulatory effects of microfilariae-derived EVs on the vector host Aedes aegypti. RNA-seq analysis of an Ae. aegypti cell line treated with B. malayi microfilariae EVs showed differential expression of both mRNAs and miRNAs. AAEL002590, an Ae. aegypti gene encoding a serine protease, was shown to be downregulated when cells were treated with biologically relevant EV concentrations in vitro. Injection of adult female mosquitoes with biologically relevant concentrations of EVs validated these results in vivo, recapitulating the downregulation of AAEL002590 transcript. This gene was predicted to be involved in the mosquito phenoloxidase (PO) cascade leading to the canonical melanization response and correspondingly, both suppression of this gene using RNAi and parasite EV treatment reduced PO activity in vivo. Our data indicate that parasite-derived EVs interfere with critical immune responses in the vector host, including melanization.
Mining belt foreign body detection method based on YOLOv4_GECA model
Authors: Xiao Dong , Liu Panpan , Wang Jichun , Gu Zhengmin , Yu Hang
Published: June 2023

In the process of mining belt transportation, various foreign objects may appear, which will have a great impact on the crusher and belt, thus affecting production progress and causing serious safety accidents. Therefore, it is important to detect foreign objects in the early stages of intrusion in mining belt conveyor systems. To solve this problem, the YOLOv4_GECA method is proposed in this paper. Firstly, the GECA attention module is added to establish the YOLOv4_GECA foreign object detection model in the mineral belt to enhance the foreign object feature extraction capability. Secondly, based on this model, the learning rate decay of restart cosine annealing is used to improve the foreign object image detection performance of the model. Finally, we collected belt transport image information from the Pai Shan Lou gold mine site in Shenyang and established a belt foreign body detection dataset. The experimental results show that the average detection accuracy of the YOLOv4_GECA method proposed in this paper is 90.1%, the recall rate is 90.7%, and the average detection time is 30 ms, which meets the requirements for detection accuracy and real-time performance at the mine belt transportation site.
Investigating associations between physical activity, stress experience, and affective wellbeing during an examination period using experience sampling and accelerometry
Authors: Hachenberger Justin , Teuber Ziwen , Li Yu-Mei , Abkai Laura , Wild Elke , Lemola Sakari
Published: May 2023

Previous studies reported that physical activity could buffer the negative association of psychological stress with affective wellbeing. However, the studies that examined this relation in everyday life have assessed physical activity only by self-report but not with objective measures such as accelerometry. We therefore investigated the associations of both subjectively and objectively measured physical activity with stress experiences and affective wellbeing. A total of 90 university students participated in a 10-day experience sampling and diary study during their examination period and reported about stress experiences, physical activity, and affective states. Physical activity was additionally assessed using accelerometry in 50 of the participants. Subjectively assessed physical activity and objectively assessed light physical activity were associated with feeling less stressed in the evening. Also, light physical activity during the day was associated with a smaller increase/higher decrease in feeling stressed from morning to evening. The association of stress experience with negative affect was moderated by objective light physical activity. No interactive effects of stress intensity and physical activity on affective wellbeing were found. On stressful days, physical activity may buffer the negative association between stress and affective wellbeing. Particularly light physical activity as assessed with accelerometry seems to play an important role. It may be beneficial for students' affective wellbeing to increase or at least maintain physical activity during examination periods.
The role of tungsten oxide in Er3+-doped bismuth-germanate glasses for optical amplification in L-band
Authors: Çamiçi Hüseyin Can , Guérineau Théo , Rivera V. A. G. , Falci Rodrigo Ferreira , LaRochelle Sophie , Messaddeq Younès
Published: May 2023

A series of novel Er3+-doped bismuth-germanate glasses containing different tungsten concentrations with a molar composition of 97.5[(75 − x)GeO2–25Bi2O3–(x)WO3]–2Sb2O3–0.5Er2O3 (x = 5, 10, 15, 20, and 25 mol%) were fabricated. Their thermal properties are measured by differential scanning calorimetry. A structural investigation by Raman spectroscopy suggested that changes occurred in the glass network by WO3 incorporation. By laser excitation at 980 nm, a strong emission from Er3+ ions at 1532 nm is observed, while the WO3 addition caused changes in the emission spectra. The emission cross-section spectra of Er3+ are calculated by both McCumber and Füchtbauer–Ladenburg theories and their comparison showed these theories yielded slightly different results, but in both cases, the calculations showed that a gain signal in L-band can be achieved when 30% of the Er3+ ions are at the excited state. This study proves that the Er3+-doped bismuth-germanate glasses are suitable for optical fiber amplifier applications operating at C- and L-band.
Features of chromosomal abnormalities in relation to consanguinity: analysis of 10,556 blastocysts from IVF/ICSI cycles with PGT-A from consanguineous and non-consanguineous couples
Authors: Melado Laura , Lawrenz Barbara , Nogueira Daniela , Raberi Araz , Patel Rachana , Bayram Asina , Elkhatib Ibrahim , Fatemi Human
Published: May 2023

Consanguineous marriage is defined as marriage between first or second-degree cousins, with high prevalence in many cultures and societies. Descendants from consanguineous unions have an increased risk for genetic diseases. Additionally, in consanguineous couples, chromosomal disjunction during embryogenesis could also be affected, increasing the risk of chromosomal errors. Nowadays, genomic testing allows to identify new genetic syndromes and variants related to copy-number variations (CNV), including whole chromosome, segmental and micro-segmental errors. This is the first study evaluating chromosomal ploidy status on blastocysts formed from consanguineous couples during IVF/ICSI treatments with Preimplantation Genetic Testing for Aneuploidies (PGT-A), compared to non-consanguineous couples. Although consanguine couples were significantly younger, no differences were observed between groups for fertilisation rate, blastulation rate and euploidy rate, once adjusted by age. Nevertheless, the number of blastocysts biopsied on day 5 was lower for consanguine couples. Segmental errors, and aneuploidies of chromosomes 13 and 14 were the most prominent abnormalities in relation to consanguinity, together with errors in chromosome 16 and sex chromosomes when the female partner was younger than 35. Once euploid blastocysts were considered for subsequent frozen embryo transfer, pregnancy outcomes were similar in both groups. The current findings point toward the fact that in consanguine unions, not only the risk of having a child with genetic disorders is increased, but also the risk of specific chromosomal abnormalities seems to be increased. Premarital counselling and tailored reproductive treatments should be offered to these couples.
Non-target GC–MS analyses of fecal VOCs in NASH-hepatocellular carcinoma model STAM mice
Authors: Kato Mai , Yamaguchi Momoka , Ooka Akira , Takahashi Ryota , Suzuki Takuji , Onoda Keita , Yoshikawa Yuko , Tsunematsu Yuta , Sato Michio , Yoshioka Yasukiyo , Igarashi Miki , Hayakawa Sumio , Shoji Kumiko , Shoji Yutaka , Ishikawa Tomohisa , Watanabe Kenji , Miyoshi Noriyuki
Published: June 2023

The increased incidence of obesity in the global population has increased the risk of several chronic inflammation-related diseases, including non-alcoholic steatohepatitis (NASH)-hepatocellular carcinoma (HCC). The progression from NASH to HCC involves a virus-independent liver carcinogenic mechanism; however, we currently lack effective treatment and prevention strategies. Several reports have suggested that fecal volatile organic compounds (VOCs) are strongly associated with NASH-HCC; therefore, we explored the biomarkers involved in its pathogenesis and progression. Fecal samples collected from control and NASH-HCC model STAM mice were subjected to headspace autosampler gas chromatography-electron ionization-mass spectrometry. Non-target profiling analysis identified diacetyl (2,3-butandione) as a fecal VOC that characterizes STAM mice. Although fecal diacetyl levels were correlated with the HCC in STAM mice, diacetyl is known as a cytotoxic/tissue-damaging compound rather than genotoxic or mutagenic; therefore, we examined the effect of bioactivity associated with NASH progression. We observed that diacetyl induced several pro-inflammatory molecules, including tumor necrosis factor-α, cyclooxygenase-2, monocyte chemoattractant protein-1, and transforming growth factor-β, in mouse macrophage RAW264.7 and Kupffer KPU5 cells. Additionally, we observed that diacetyl induced α-smooth muscle actin, one of the hallmarks of fibrosis, in an ex vivo cultured hepatic section, but not in in vitro hepatic stellate TWNT-1 cells. These results suggest that diacetyl would be a potential biomarker of fecal VOC in STAM mice, and its ability to trigger the macrophage-derived inflammation and fibrosis may partly contribute to NASH-HCC carcinogenesis.
Comparative transcriptomic analysis and mechanistic characterization revealed the use of formononetin for bladder cancer treatment
Authors: Zhou Huanhuan , Wang Ping , Qin Xian , Zhang Xing , Lai Keng Po , Chen Jian
Published: June 2023

Formononetin inhibits the recurrence and metastasis of bladder cancer through the regulation of oncogenes.
The role of loop dynamics in the prediction of ligand–protein binding enthalpy
Authors: Çınaroğlu Süleyman Selim , Biggin Philip C.
Published: June 2023

The enthalpic and entropic components of ligand–protein binding free energy reflect the interactions and dynamics between ligand and protein.
Synthesis and reactivity of 5-hydrazino-3-nitro-1,2,4-triazole (HNT): an amphoteric energetic platform
Authors: Habert Loïc , Daniel Matthieu , Palmas Pascal , Pasquinet Eric
Published: June 2023

Here is described the first synthesis of 5-hydrazino-3-nitro-1,2,4-triazole (HNT), as a free base, from 5-bromo-3-nitro-1,2,4-triazole (BNT) in three steps.
Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides
Authors: Artemjev Alexey A. , Kubasov Alexey S. , Kuznetsov Maxim L. , Grudova Mariya V. , Khrustalev Victor N. , Kritchenkov Andreii S. , Tskhovrebov Alexander G.
Published: June 2023

2-Pyridylselenyl reagents react with cyanamides to furnish pyridine-fused selenodiazolium salts. Theoretical calculations suggested that the coupling of 2-pyridylchalcogenyl halides and nitriles is an asynchronous cycloaddition reaction.
Experimental and computational investigation into the hydrodynamics and chemical dynamics of laser ablation aluminum plasmas
Authors: Kwapis Emily H. , Posey Jacob W. , Medici Enrique , Berg Kira , Houim Ryan W. , Hartig Kyle C.
Published: May 2023

Plume hydrodynamics and plasma-gas intermixing drives chemical reactions in laser ablation plasmas, where molecular formation is shown to occur during early times (<100 ns) in the presence of strong laser-induced shockwaves.
Catalytic oxidation properties of an acid-resistant cross-bridged cyclen Fe(ii) complex. Influence of the rigid donor backbone and protonation on the reactivity
Authors: Rebilly Jean-Noël , Herrero Christian , Sénéchal-David Katell , Guillot Régis , Banse Frédéric
Published: June 2023

The inertness of an FeII complex supported by a cross-bridged ligand is partly reduced under acidic conditions which enhances its reactivity with H2O2 and its performance in oxidation catalysis.
Additive-free selective oxidation of aromatic alcohols with molecular oxygen catalyzed by a mixed-valence polyoxovanadate-based metal–organic framework
Authors: Tian Hongrui , Li Runhan , Miao Jun , Liu Shuxia , Wang Fengfeng , Zheng Zhiping
Published: June 2023

A mixed-valence polyoxovanadate-based cadmium organic framework was synthesized and used as a recyclable catalyst for the high-yield additive-free selective oxidation of aromatic alcohols with molecular oxygen to their corresponding aldehydes.
Mixture effect assessment applying in vitro bioassays to in-tissue silicone extracts of traditional foods prepared from beluga whale blubber
Authors: Escher Beate I. , Binnington Matthew J. , König Maria , Lei Ying D. , Wania Frank
Published: May 2023

Mixtures extracted from beluga traditional food preparations activated oxidative stress response and the aryl hydrocarbon receptor but did not show any hormone-like effects.
Developing and verifying a quantitative dissolution model for metal-bearing nanoparticles in aqueous media
Authors: Song Yuchao , Rottschäfer Vivi , Vijver Martina G. , Peijnenburg Willie J. G. M.
Published: June 2023

Dissolution of nanoparticles (NPs) determines the fate and subsequently the actual exposure of biota to the NPs (created with https://BioRender.com).
Stormwater subsurface gravel wetland hydraulics, phosphorus retention, and chloride dynamics in cold climates
Authors: Roy Eric D. , Torizzo Andres O. , Kubow Marcos L. , Nadkarni Nisha C. , Adler Thomas M. , Yandow Madeline F. , Bondeson Finn A. , Wiegman Adrian R. H. , Rizzo Donna M.
Published: June 2023

The stormwater treatment performance of an increasingly popular horizontal subsurface-flow gravel wetland design in the northeastern United States was characterized by poor phosphorus retention and negligible impacts on chloride transport.
Visible-light driven tetracycline hydrochloride degradation by nano-lanthanum hydroxide modified carbon nitride: performance, mechanism, and application in real wastewater treatment
Authors: Xiong Jian , Xu Hanghang , Yin Xuejie , Yang Bei , Petropoulos Evangelos , Xue Lihong , Yang Linzhang , He Shiying
Published: June 2023

In this study, La(OH)3/g-C3N4 photocatalyst was designed for degradation of tetracycline hydrochloride (TCH) under visible light.
Spiers Memorial Lecture: Astrochemistry at high resolution
Authors: Ceccarelli Cecilia
Published: June 2023

This Spiers Memorial Lecture introduces theFaraday Discussionon ‘Astrochemistry at high resolution’, focusing on the special case of interstellar complex organic molecules (iCOMs).
HER-2-targeted boron neutron capture therapy using an antibody-conjugated boron nitride nanotube/β-1,3-glucan complex
Authors: Yamana Keita , Kawasaki Riku , Kondo Kousuke , Hirano Hidetoshi , Kawamura Shogo , Sanada Yu , Bando Kaori , Tabata Anri , Azuma Hideki , Takata Takushi , Sakurai Yoshinori , Tanaka Hiroki , Kodama Tomoki , Kawamoto Seiji , Nagasaki Takeshi , Ikeda Atsushi
Published: June 2023

HER-2 targeted boron nitride nanotube was developed as a boron agent for boron neutron capture therapy.
Investigating the drug carrying ability of Al and Ga doped B12N12 nanocages for 5-fluorouracil based on DFT
Authors: Wu ShiQuan , Li Li , Liang QiQi , Gao HuaXu , Hu DeYuan , Tang TianYu , Tang YanLin
Published: June 2023

In order to improve the therapeutic efficacy and enhance targeted delivery of the 5-fluorouracil (5Fu) anticancer drug, a kind of potential carrier MB11N12 (M = B, Al, Ga) nanocage was designed.
Fe2O3/NiO nanocomposites: synthesis, characterization and roxarsone sensing by Fourier transform infrared photoacoustic spectroscopy
Authors: Suresh R. , Álvarez Ángela , Sandoval Claudio , Ramírez Eimmy , Santander Paola , Mangalaraja R. V. , Yáñez Jorge
Published: June 2023

Fourier transform infrared photoacoustic spectroscopic sensing of roxarsone using the Fe2O3/NiO nanocomposite.
Silver-mediated radical cascade cyclization of N-allylamides with sodium sulfinates to access sulfonated oxazolines
Authors: Chen Zhichao , He Mu , Zheng Hongmei , Weng Wenting , Sun Lidan , Xie Xiaolan
Published: June 2023

A facile and practical silver-mediated radical cascade cyclization of N-allylamides with sodium sulfinates is developed, giving a series of sulfonated oxazolines in moderate to good yields.
Gram-scale ruthenium catalysts templated on halloysite nanotubes and MCM-41/halloysite composite for removal of aromatics from gasoline fraction
Authors: Vutolkina A. V. , Zasypalov G. O. , Aljajan Ya. , Klimovsky V. A. , Vinokurov V. A. , Rubtsova M. I. , Pimerzin Al. A. , Glotov A. P.
Published: June 2023

Effective and low-cost gram-scale Ru-containing catalysts for removal of aromatics from the gasoline fraction while retaining the octane number.
Correction: High photovoltaic performance (23.75) of triazatruxene-based dye-sensitized solar cells containing different π bridges: computational investigation
Authors: Abdelaaziz Alioui , Bouzzine Si Mohamed , Hamidi Mohamed , El-Shishtawy Reda M.
Published: June 2023

Correction for ‘High photovoltaic performance (23.75) of triazatruxene-based dye-sensitized solar cells containing different π bridges: computational investigation’ by Alioui Abdelaaziz et al., New J. Chem., 2023, 47, 8723–8736, https://doi.org/10.1039/D3NJ00371J.
High-performance aqueous zinc ion hybrid capacitors obtained by Na2SO4additive and dense pore structure
Authors: Zou Mingjun , Li Xixian , Luo Siyu , Chen Junda , Hou Mengqi , Gao Ge
Published: June 2023

In this study, the electrochemical performance of zinc ion hybrid capacitors (ZICs) was improved by employing carbon-based materials and electrolyte together.
Acid-catalysed intramolecular Friedel–Crafts annulation of hetero-atom-functionalized para-quinone methides: access to O-, S- and N-based heterocycles
Authors: Sharma Sonam , Singh Gurdeep , Rekha  , Kumar Munnu , Vijaya Anand Ramasamy
Published: June 2023

An acid catalyzed general protocol has been developed for the synthesis of xanthene, thioxanthene and indolo[1,2-a]indole derivatives from para-quinone methides via an intramolecular Friedel–Crafts reaction.
(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans
Authors: Debnath Shubham , Chauhan Sachin , Kumara Swamy K. C.
Published: June 2023

Lewis base-controlled (3 + 3) annulation of δ-acetoxy allenoates with N-Boc-oxindole, benzofuranone, or pyrazolone affords fused pyrans; the base DBU gives pyrans, while DMAP affords dihydropyrans.
Single-ion nano-features formed by a Li-containing block copolymer synthesized via PISA
Authors: Chouirfa Hamza , Gomri Chaimaa , Benkhaled Belkacem Tarek , Chaix Arnaud , Aissou Karim , Semsarilar Mona
Published: June 2023

Synthesis of lithium-containing block copolymer nanoparticles via PISA and their use in the formation of structured thin films.
Structural control and functionalization of thermoresponsive nanogels: turning cross-linking points into anchoring groups
Authors: Wolfel Alexis , Wang Huiyi , Osorio-Blanco Ernesto Rafael , Bergueiro Julian , Romero Marcelo Ricardo , Alvarez Igarzabal Cecilia Inés , Calderón Marcelo
Published: June 2023

Nanogels with cleavable crosslinking points allow for nanostructure modification and functionalization with α-oxoaldehydes (glyoxylic groups).