bluuebunny/crossref_metadata_2025 huggingface dataset:
Strong pCO2 Undersaturation in an Arctic Sea: A Decade of Spatial and Temporal Variability in Baffin Bay
Authors: Nickoloff G. , Else B. G. T. , Ahmed M. , Burgers T. M. , Miller L. A. , Papakyriakou T.
Published: August 2024

Utilizing an 11‐year (2011–2021) data set, we report surface‐ocean pCO2 in Baffin Bay during the open‐water season (June–October) to establish a baseline understanding of surface seawater carbon dynamics in this region. We found pCO2 was strongly undersaturated (70–130 μatm below saturation, depending on year), albeit with substantial regional variability. Though temperature was found to be a generally strong control of pCO2, sea‐ice dynamics and other non‐thermal drivers controlled pCO2 at certain times and in certain regions. The Baffin Island Current region (western Baffin Bay) experienced relatively high pCO2 during instances of high sea‐ice cover, usually in early spring. Average pCO2 was comparatively lower in the West Greenland Current region (eastern Baffin Bay) which is ice‐free substantially longer (by 3–4 months) and where temperature acted as the dominant control to pCO2. With respect to temporal variations, June had the lowest pCO2 of the open‐water season, coinciding with active sea‐ice melt. Surface‐ocean pCO2 then increased month‐to‐month through July and August due to warming and decreased meltwater dilution, increasing again into September before stabilizing into October. Generally, non‐thermal controls acted to decrease pCO2 during mid‐summer (possibly primary production, sea‐ice melt, and circulation), but acted to increase pCO2 during early fall (vertical mixing). Despite spatial and temporal variation over the open‐water season, persistent undersaturation suggests that Baffin Bay is a potentially strong CO2 sink, even in comparison to other uptake regions across the western Arctic.
Bedrock Controls on Water and Energy Partitioning
Authors: Ehlert Robert S. , Hahm W. Jesse , Dralle David N. , Rempe Daniella M. , Allen Diana M.
Published: August 2024

Across diverse biomes and climate types, plants use water stored in bedrock to sustain plant transpiration. Bedrock water storage (Sbedrock), in addition to soil moisture, thus plays an important role in water cycling and should be accounted for in the context of surface energy balances and streamflow generation. Yet, the extent to which bedrock water storage impacts hydrologic partitioning and influences latent heat fluxes has yet to be quantified at large scales. This is particularly important in Mediterranean climates, where the majority of precipitation is offset from energy delivery and plants must rely on water retained from the wet season to support summer growth. Here we present a simple and modified water balance approach to quantify the role of Sbedrock on controlling hydrologic and energy partitioning. Specifically, we tracked evapotranspiration in excess of precipitation and mapped soil water storage capacity (Ssoil, mm) across the western US in the context of Budyko's water partitioning framework. Our findings indicate that Sbedrock is necessary to sustain plant transpiration across forests in the Sierra Nevada—some of the most productive forests on Earth—as early as April every year, which is counter to the current conventional thought that bedrock is exclusively used late in the dry season under extremely dry conditions. We found that the proportion of water that returns to the atmosphere would decrease dramatically without access to Sbedrock. When converted to latent heat energy, the median monthly flux associated with evapotranspiration of Sbedrock can exceed 100 W/m2 during the dry season.
Development of Functional Quantile Autoregressive Model for River Flow Curve Forecasting
Authors: Mutis Muge , Beyaztas Ufuk , Simsek Gulhayat Golbasi , Shang Han Lin , Yaseen Zaher Mundher
Published: August 2024

Among several hydrological processes, river flow is an essential parameter that is vital for different water resources engineering activities. Although several methodologies have been adopted over the literature for modeling river flow, the limitation still exists in modeling the river flow time series curve. In this research, a functional quantile autoregressive of order one model was developed to characterize the entire conditional distribution of the river flow time series curve. Based on the functional principal component analysis, the regression parameter function was estimated using a multivariate quantile regression framework. For this purpose, hourly scale river flow collected from three rivers in Australia (Mary River, Lockyer Valley, and Albert River) were used to evaluate the finite‐sample performance of the proposed methodology. A series of Monte‐Carlo experiments and historical data sets were examined at three stations. Further, uncertainty analysis was adopted for the methodology evaluation. Compared with the existing methods, the proposed model provides more robust forecasts for outlying observations, non‐Gaussian and heavy‐tailed error distribution, and heteroskedasticity. Also, the proposed model has the merit of predicting the intervals of future realizations of river flow time series at the central and non‐central locations. The results confirmed the potential for predicting the river flow time series curve with a high level of accuracy in comparison with the benchmark existing functional time series methods.
Volatiles and Redox Along the East African Rift
Authors: Brounce Maryjo , Scoggins Sara , Fischer Tobias P. , Ford Heather , Byrnes Joseph
Published: August 2024

The upper mantle under the Afar Depression in the East African Rift displays some of the slowest seismic wave speeds observed globally. Despite the extreme nature of the geophysical anomaly, lavas that erupted along the East African Rift record modest thermal anomalies. We present measurements of major elements, H2O, S, and CO2, and Fe3+/ΣFe and S6+/ΣS in submarine glasses from the Gulf of Aden seafloor spreading center and olivine‐, plagioclase‐, and pyroxene‐hosted melt inclusions from Erta Ale volcano in the Afar Depression. We combine these measurements with literature data to place constraints on the temperature, H2O, and fO2 of the mantle sources of these lavas as well as the initial and final pressures of melting. The Afar mantle plume is C/FOZO/PHEM in isotopic composition, and we suggest that this mantle component is damp, with 852 ± 167 ppm H2O, not elevated in fO2 compared to the depleted MORB mantle, and has temperatures of ∼1401–1458°C. This is similar in fO2 and H2O to the estimates of C/FOZO/PHEM in other locations. Using the moderate H2O contents of the mantle together with the moderate thermal anomaly, we find that melting begins at around 93 km depth and ceases at around 63 km depth under the Afar Depression and at around 37 km depth under the Gulf of Aden, and that ∼1%–29% partial melts of the mantle can be generated under these conditions. We speculate that the presence of melt, and not elevated temperatures or high H2O contents, are the cause for the prominent geophysical anomaly observed in this region.
Drivers for Geostationary 2–200 keV Electron Fluxes as Observed at GOES Satellites
Authors: van de Kamp M. , Ganushkina N. , Simms L. , Liemohn M.
Published: August 2024

Electron fluxes in the keV energy range can cause significant spacecraft surface charging, which in turn can affect the functioning of spacecraft components. In this paper, the geostationary electron fluxes measured by the satellites GOES 13‐18 in the energy range 2–200 keV are analyzed in order to look for their dependence on solar wind conditions. For this purpose, a range of solar wind parameters, IMF parameters and geomagnetic indices are examined, to look for the parameters which most significantly affect the electron flux. The analysis includes fluxes in the lower energy range of 2–40 keV, measured by GOES 16‐18, which have not been analyzed before. The measured electron fluxes are averaged over all directions, and high‐pass filtered to isolate variations shorter than 1 month. The analysis concentrates of the dawn sector, where variations are largest. A number of solar wind parameters and magnetic indices are analyzed concurrently with the electron flux data, to look for the most significant correlations between them. Most parameters have the highest correlation with electron flux when shifted in time by a certain delay. In addition to the different solar wind parameters and magnetic indices, combinations of different parameters are also examined for their best correlation with the electron flux. The most significant driving parameters are found to be the auroral electrojet index, combined with either the solar wind plasma velocity or the plasma density. The relative contribution of each of these parameters depends on electron energy, and differs between periods of high and low flux.
Wavelength-multiplexed multi-mode EUV reflection ptychography based on automatic differentiation
Authors: Shao Yifeng , Weerdenburg Sven , Seifert Jacob , Urbach H. Paul , Mosk Allard P. , Coene Wim
Published: August 2024

Ptychographic extreme ultraviolet (EUV) diffractive imaging has emerged as a promising candidate for the next generationmetrology solutions in the semiconductor industry, as it can image wafer samples in reflection geometry at the nanoscale. This technique has surged attention recently, owing to the significant progress in high-harmonic generation (HHG) EUV sources and advancements in both hardware and software for computation. In this study, a novel algorithm is introduced and tested, which enables wavelength-multiplexed reconstruction that enhances the measurement throughput and introduces data diversity, allowing the accurate characterisation of sample structures. To tackle the inherent instabilities of the HHG source, a modal approach was adopted, which represents the cross-density function of the illumination by a series of mutually incoherent and independent spatial modes. The proposed algorithm was implemented on a mainstream machine learning platform, which leverages automatic differentiation to manage the drastic growth in model complexity and expedites the computation using GPU acceleration. By optimising over 200 million parameters, we demonstrate the algorithm's capacity to accommodate experimental uncertainties and achieve a resolution approaching the diffraction limit in reflection geometry. The reconstruction of wafer samples with 20-nm high patterned gold structures on a silicon substrate highlights our ability to handle complex physical interrelations involving a multitude of parameters. These results establish ptychography as an efficient and accurate metrology tool.
Dual therapeutic targeting of MYC and JUNB transcriptional programs for enhanced anti-myeloma activity
Authors: Lind Judith , Aksoy Osman , Prchal-Murphy Michaela , Fan Fengjuan , Fulciniti Mariateresa , Stoiber Dagmar , Bakiri Latifa , Wagner Erwin F. , Zwickl-Traxler Elisabeth , Sattler Martin , Kollmann Karoline , Vallet Sonia , Podar Klaus
Published: August 2024

Deregulation of transcription factors (TFs) leading to uncontrolled proliferation of tumor cells within the microenvironment represents a hallmark of cancer. However, the biological and clinical impact of transcriptional interference, particularly in multiple myeloma (MM) cells, remains poorly understood. The present study shows for the first time that MYC and JUNB, two crucial TFs implicated in MM pathogenesis, orchestrate distinct transcriptional programs. Specifically, our data revealed that expression levels of MYC, JUNB, and their respective downstream targets do not correlate and that their global chromatin-binding patterns are not significantly overlapping. Mechanistically, MYC expression was not affected by JUNB knockdown, and conversely, JUNB expression and transcriptional activity were not affected by MYC knockdown. Moreover, suppression of MYC levels in MM cells via targeting the master regulator BRD4 by either siRNA-mediated knockdown or treatment with the novel proteolysis targeting chimera (PROTAC) MZ-1 overcame bone marrow (BM) stroma cell/IL-6-induced MYC- but not MEK-dependent JUNB-upregulation and transcriptional activity. Consequently, targeting of the two non-overlapping MYC- and JUNB-transcriptoms by MZ-1 in combination with genetic or pharmacological JUNB-targeting approaches synergistically enhanced MM cell death, both in 2D and our novel dynamic 3D models of the BM milieu as well as in murine xenografts. In summary, our data emphasize the opportunity to employ MYC and JUNB dual-targeting treatment strategies in MM as another exciting approach to further improve patient outcomes.
Combining sound with tongue stimulation for the treatment of tinnitus: a multi-site single-arm controlled pivotal trial
Authors: Boedts Michael , Buechner Andreas , Khoo S. Guan , Gjaltema Welmoed , Moreels Frederique , Lesinski-Schiedat Anke , Becker Philipp , MacMahon Helen , Vixseboxse Lieke , Taghavi Razieh , Lim Hubert H. , Lenarz Thomas
Published: August 2024

Bimodal neuromodulation is emerging as a nonsurgical treatment for tinnitus. Bimodal treatment combining sound therapy with electrical tongue stimulation using the Lenire device is evaluated in a controlled pivotal trial (TENT-A3, NCT05227365) consisting of 6-weeks of sound-only stimulation (Stage 1) followed by 6-weeks of bimodal treatment (Stage 2) with 112 participants serving as their own control. The primary endpoint compares the responder rate observed in Stage 2 versus Stage 1, where a responder exceeds 7 points in the Tinnitus Handicap Inventory. In participants with moderate or more severe tinnitus, there is a clinically superior performance of bimodal treatment (58.6%; 95% CI: 43.5%, 73.6%; p = 0.022) compared to sound therapy alone (43.2%; 95% CI: 29.7%, 57.8%), which is not observed in the full cohort across all severity groups. Consistent results are observed for the secondary endpoint based on the Tinnitus Functional Index (bimodal treatment: 45.5%; 95% CI: 31.7%, 59.9%; sound-only stimulation: 29.6%; 95% CI: 18.2%, 44.2%; p = 0.010), where a responder exceeds 13 points. There are no device related serious adverse events. These positive outcomes led to FDA De Novo approval of the Lenire device for tinnitus treatment.
Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase
Authors: Arragain Benoît , Krischuns Tim , Pelosse Martin , Drncova Petra , Blackledge Martin , Naffakh Nadia , Cusack Stephen
Published: August 2024

Replication of influenza viral RNA depends on at least two viral polymerases, a parental replicase and an encapsidase, and cellular factor ANP32. ANP32 comprises an LRR domain and a long C-terminal low complexity acidic region (LCAR). Here we present evidence suggesting that ANP32 is recruited to the replication complex as an electrostatic chaperone that stabilises the encapsidase moiety within apo-polymerase symmetric dimers that are distinct for influenza A and B polymerases. The ANP32 bound encapsidase, then forms the asymmetric replication complex with the replicase, which is embedded in a parental ribonucleoprotein particle (RNP). Cryo-EM structures reveal the architecture of the influenza A and B replication complexes and the likely trajectory of the nascent RNA product into the encapsidase. The cryo-EM map of the FluB replication complex shows extra density attributable to the ANP32 LCAR wrapping around and stabilising the apo-encapsidase conformation. These structures give new insight into the various mutations that adapt avian strain polymerases to use the distinct ANP32 in mammalian cells.
Data-driven quantum chemical property prediction leveraging 3D conformations with Uni-Mol+
Authors: Lu Shuqi , Gao Zhifeng , He Di , Zhang Linfeng , Ke Guolin
Published: August 2024

Quantum chemical (QC) property prediction is crucial for computational materials and drug design, but relies on expensive electronic structure calculations like density functional theory (DFT). Recent deep learning methods accelerate this process using 1D SMILES or 2D graphs as inputs but struggle to achieve high accuracy as most QC properties depend on refined 3D molecular equilibrium conformations. We introduce , a deep learning approach that leverages 3D conformations for accurate QC property prediction. first generates a raw 3D conformation using RDKit then iteratively refines it towards DFT equilibrium conformation using neural networks, which is finally used to predict the QC properties. To effectively learn this conformation update process, we introduce a two-track Transformer model backbone and a novel training approach. Our benchmarking results demonstrate that the proposed significantly improves the accuracy of QC property prediction in various datasets.
Empowering a qudit-based quantum processor by traversing the dual bosonic ladder
Authors: Nguyen Long B. , Goss Noah , Siva Karthik , Kim Yosep , Younis Ed , Qing Bingcheng , Hashim Akel , Santiago David I. , Siddiqi Irfan
Published: August 2024

High-dimensional quantum information processing has emerged as a promising avenue to transcend hardware limitations and advance the frontiers of quantum technologies. Harnessing the untapped potential of the so-called qudits necessitates the development of quantum protocols beyond the established qubit methodologies. Here, we present a robust, hardware-efficient, and scalable approach for operating multidimensional solid-state systems using Raman-assisted two-photon interactions. We then utilize them to construct extensible multi-qubit operations, realize highly entangled multidimensional states including atomic squeezed states and Schrödinger cat states, and implement programmable entanglement distribution along a qudit array. Our work illuminates the quantum electrodynamics of strongly driven multi-qudit systems and provides the experimental foundation for the future development of high-dimensional quantum applications such as quantum sensing and fault-tolerant quantum computing.
Sound-seeking before and after hearing loss in mice
Authors: Mai Jessica , Gargiullo Rowan , Zheng Megan , Esho Valentina , Hussein Osama E. , Pollay Eliana , Bowe Cedric , Williamson Lucas M. , McElroy Abigail F. , Saunders Jonny L. , Goolsby William N. , Brooks Kaitlyn A. , Rodgers Chris C.
Published: August 2024

How we move our bodies affects how we perceive sound. For instance, head movements help us to better localize the source of a sound and to compensate for asymmetric hearing loss. However, many auditory experiments are designed to restrict head and body movements. To study the role of movement in hearing, we developed a behavioral task called sound-seeking that rewarded freely moving mice for tracking down an ongoing sound source. Over the course of learning, mice more efficiently navigated to the sound. Next, we asked how sound-seeking was affected by hearing loss induced by surgical removal of the malleus from the middle ear. After bilateral hearing loss sound-seeking performance drastically declined and did not recover. In striking contrast, after unilateral hearing loss mice were only transiently impaired and then recovered their sound-seek ability over about a week. Throughout recovery, unilateral mice increasingly relied on a movement strategy of sequentially checking potential locations for the sound source. In contrast, the startle reflex (an innate auditory behavior) was preserved after unilateral hearing loss and abolished by bilateral hearing loss without recovery over time. In sum, mice compensate with body movement for permanent unilateral damage to the peripheral auditory system. Looking forward, this paradigm provides an opportunity to examine how movement enhances perception and enables resilient adaptation to sensory disorders.
Experimental study of gamma-ray attenuation capability of B2O3-ZnO-Na2O-Fe2O3 glass system
Authors: Elsafi Mohamed , Sayyed M. I. , Hanafy Taha A. , More Chaitali V. , Hedaya Ali
Published: August 2024

In the present work, a glass system with developed composition consisting of B2O3, ZnO, Na2O and Fe2O3 samples has been investigated. Glass samples were prepared using the melt quenching method and the density of the system was measured using Archimedes’ principle. Spectroscopic analysis using a gamma source and a high-purity germanium detector at four energies of 0.0595, 0.6617, 1.173, and 1.333 MeV emitted from Am-241, Cs-137, and Co-60 were used to determine the attenuation parameters of present glass composites. The sample containing 45 B2O3 + 10 Na2O + 40 ZnO + 5 Fe2O3 (coded BNZF-4) had the highest mass attenuation coefficient (MAC) value at all the energies discussed compared to the other composites. Whoever, the BNZF-1 sample had the lowest value at all ranges of energies. The transmission factors (TF, %) of the manufactured samples were calculated, at 0.0595 MeV (TF, %) values are 32.6429 and 6.4612 for samples BNZF-1 and BNZF-4, respectively. The statistical results demonstrated significantly better to increase the ZnO concentration in the sample, where the percentage of zinc oxide inside the prepared glass samples has the following direction BNZF -4 > BNZF -3 > BNZF -2 > BNZF -1. The significance of this study is that transparent, environmentally harmless glass composites with relatively high density have been prepared that can be used as shielding materials against gamma rays, especially at low energies.
The effect of laser pulse evolution on down-ramp injection in laser wakefield accelerators
Authors: Jain Arohi , Yoffe Samuel R. , Ersfeld Bernhard , Holt George K. , Gupta Devki Nandan , Jaroszynski Dino A.
Published: August 2024

Electron self-injection in laser wakefield accelerators (LWFAs) is an important determinator of electron beam parameters. Controllable and adjustable LWFA beams are essential for applications. Controlled injection by capturing sheath electrons can be achieved using plasma density down-ramps or bumps, which perturb the LWFA bubble phase velocity by varying the plasma frequency and by affecting relativistic self-focussing of the laser. We report on a comprehensive study, using particle-in-cell simulations, of the effect of laser pulse evolution on injection on density perturbations. We show how the LWFA can be optimised to make it suitable for use in a wide range of applications, in particular those requiring short duration, low slice-emittance and low energy spread, and high-charge electron bunches.
In vivo optimization of the experimental conditions for the non-invasive optical assessment of breast density
Authors: Serra Nicola , Cubeddu Rinaldo , Maffeis Giulia , Damagatla Vamshi , Pifferi Antonio , Taroni Paola
Published: August 2024

In this study, time domain diffuse optical spectroscopy is performed in the range 600–1100 nm on 11 healthy volunteers with a portable system for the quantitative characterization of breast tissue in terms of optical properties and optically-derived blood parameters, tissue constituent concentrations, and scattering parameters. A measurement protocol involving different geometries (reflectance and transmittance), subject’s positions (sitting and lying down), probing locations (outer, lower, and inner breast quadrants), and source-detector distances (2 and 3 cm) allowed us to investigate the effect of tissue heterogeneity and different measurement configurations on the results with the aim of identifying the best experimental conditions for the estimate of breast density (i.e., amount of fibro-glandular tissue in the breast) as a strong independent risk factor for breast cancer. Transmittance results, that in previous studies correlated strongly with mammographic density, are used as a reference for the initial test of the simpler and more comfortable reflectance measurement configuration. The higher source-detector distance, which probes deeper tissue, retrieves optical outcomes in agreement with higher average density tissue. Similarly, results on the outer quadrants indicate higher density than internal quadrants. These findings are coherent with breast anatomy since the concentration of dense fibro-glandular stroma is higher in deep tissue and towards the external portion of the breast, where the mammary gland is located. The dataset generated with this laboratory campaign is used to device an optimal measurement protocol for a future clinical trial, where optical results will be correlated with conventional mammographic density, allowing us to identify a subset of wavelengths and measurement configurations for an effective estimate of breast density. The final objective is the design of a simplified, compact and cost-effective optical device for a non-invasive, routine assessment of density-associated breast cancer risk.
An extrinsic motor directs chromatin loop formation by cohesin
Authors: Guérin Thomas M , Barrington Christopher , Pobegalov Georgii , Molodtsov Maxim I , Uhlmann Frank
Published: August 2024

The ring-shaped cohesin complex topologically entraps two DNA molecules to establish sister chromatid cohesion. Cohesin also shapes the interphase chromatin landscape with wide-ranging implications for gene regulation, and cohesin is thought to achieve this by actively extruding DNA loops without topologically entrapping DNA. The ‘loop extrusion’ hypothesis finds motivation from in vitro observations—whether this process underlies in vivo chromatin loop formation remains untested. Here, using the budding yeast S. cerevisiae, we generate cohesin variants that have lost their ability to extrude DNA loops but retain their ability to topologically entrap DNA. Analysis of these variants suggests that in vivo chromatin loops form independently of loop extrusion. Instead, we find that transcription promotes loop formation, and acts as an extrinsic motor that expands these loops and defines their ultimate positions. Our results necessitate a re-evaluation of the loop extrusion hypothesis. We propose that cohesin, akin to sister chromatid cohesion establishment at replication forks, forms chromatin loops by DNA–DNA capture at places of transcription, thus unifying cohesin’s two roles in chromosome segregation and interphase genome organisation.
An account of the current status of point-of-care lateral flow tests for kidney biomarker detection
Authors: Sahare Tileshwar , Sahoo Badri Narayana , Jaiswal Surbhi , Rana Simran , Joshi Abhijeet
Published: August 2024

The review highlights advancements in sensitivity-enhanced colorimetric and fluorescent LFTs for kidney biomarker detection, offering an overview of classical diagnostic methods, commercially available LFTs, dipsticks, and POCT for kidney diseases.
Simultaneous detection of tyrosine and uric acid in sweat using CoWO4@CNT with a hydrogel modified electrochemical biosensor
Authors: Zeng Xin , Li Xuheng , Zhang Yong , Wang Cuncun , Liu Yiyi , Hou Changjun , Huo Danqun
Published: August 2024

We achieve simultaneous detection of UA (LOD: 0.14 μM) and Tyr (LOD: 4.2 μM) by synthesizing CoWO4@CNT in a single step using a hydrothermal method. We also developed a PDA–PAM hydrogel with a sweat absorption rate of up to 226%.
Flexible and wearable electronic systems based on 2D hydrogel composites
Authors: Verma Sushil Kumar , Tyagi Varee , Sonika  , Dutta Taposhree , Mishra Satyendra Kumar
Published: August 2024

Flexible electronics is a rapidly developing field of study, which integrates many other fields, including materials science, biology, chemistry, physics, and electrical engineering.
A review of organic small-molecule fluorescent probes for the gallium(iii) ion
Authors: Yan Liqiang , Xu Xianjun , Bao Kaiyue
Published: August 2024

This paper provides a comprehensive overview of fluorescent probes for Ga3+, addressing challenges and proposing corresponding solutions, while also outlining future directions for the development of highly efficient fluorescent probes.
Extended siponimod release via low-porosity PLGA fibres: a comprehensive three-month in vitro evaluation for neovascular ocular diseases
Authors: Alshaikh Rasha A. , Chullipalliyalil Krishnakumar , Waeber Christian , Ryan Katie B.
Published: August 2024

The sustained release of siponimod from low-porosity electrospun PLGA fibers offers an alternative treatment for ocular neovascular diseases, potentially reducing intravitreal injection frequency to fewer than four injections per year.
Tumor oxygenation nanoliposomes promote deep photodynamic therapy for triple-negative breast cancer
Authors: Han Jianhua , Xu Xinyi , Jin Feiyang , Xu Xiaoling , Fang Tao , Du Yongzhong
Published: August 2024

Fabrication of CLIP-RB-PFOB@UCNP and the NIR-controlled deep effects of PDT in tumor sites.
Direct C–H amidation of 1,3-azoles: light-mediated, photosensitiser-free vs. thermal
Authors: Mooney David T. , McKee Heather , Batch Tabea S. , Drane Samuel , Moore Peter R. , Lee Ai-Lan
Published: August 2024

Direct C–H amidation of the four most important 1,3-azoles in medicinal chemistry has been developed and applied to late-stage functionalisation.
Quantifying effects of second-sphere cationic groups on redox properties of dimolybdenum quadruple bonds
Authors: Subasinghe S. M. Supundrika , Mankad Neal P.
Published: August 2024

Placing cationic groups in the secondary coordination sphere of dimolybdenum paddlewheel complexes has allowed for quantification of electrostatic field effects on the MoMo quadruple bond.
A phosphine-free molecularly-defined Ni(ii) complex in catalytic hydrogenation of CO2
Authors: Bhardwaj Ritu , Choudhury Joyanta
Published: August 2024

The first non-phosphine Ni complex with “carbazolato-bis-NHC” pincer ligand is developed for efficient catalytic hydrogenation of CO2 to formate, offering TON up to 5476 and yield up to 92% for the formate product from a reaction on ∼27 mmol scale.
Modeling-driven materials by design for conjugated polymers: insights into optoelectronic, conformational, and thermomechanical properties
Authors: Li Zhaofan , Tolba Sara A. , Wang Yang , Alesadi Amirhadi , Xia Wenjie
Published: August 2024

A modeling-driven materials-by-design framework is provided to explore the multifunctional performance of conjugated polymers (CPs), offering new insights for the design and development of advanced CP-based materials and devices.
Recent progress in bimetallic-organic framework materials and their derivatives for supercapacitors
Authors: Qiu Peng-Fei , Wu Tao-Long , Tan Xiu-Niang , Huang Zai-Yin , Zhou Yan
Published: August 2024

In this article, the preparation methods, morphology control and multi-components of bimetallic-organic frameworks and their derivative materials for supercapacitors are briefly reviewed.
Modulating molecular plasmons in naphthalene via intermolecular interactions and strong light–matter coupling
Authors: Liu Zhen , Wang Xiao
Published: August 2024

This theoretical study demonstrates that molecular plasmons in naphthalene can be effectively modulated through intermolecular interactions and strong light–matter coupling, with synergistic effects observed when these methods are combined.
Probing conformational dynamics of EGFR mutants via SEIRA spectroscopy: potential implications for tyrosine kinase inhibitor design
Authors: Laudadio Emiliano , Piccirilli Federica , Vondracek Henrick , Mobbili Giovanna , Semrau Marta S. , Storici Paola , Galeazzi Roberta , Romagnoli Elena , Sorci Leonardo , Toma Andrea , Aglieri Vincenzo , Birarda Giovanni , Minnelli Cristina
Published: August 2024

The integration of SEIRA spectroscopy with MD simulation reveals structural differences in the compactness and hydration of helical motifs between active and inactive EGFR conformations allowing to study the structural impacts of EGFR mutations.
On assessing the carbon capture performance of graphynes with particle swarm optimization
Authors: Rajeevan Megha , John Chris , Swathi Rotti Srinivasamurthy
Published: August 2024

Particle swarm optimization is an attractive global optimization technique for probing the adsorption of clusters of CO2 and N2 on graphynes.
Interfacial chemistry in multivalent aqueous batteries: fundamentals, challenges, and advances
Authors: Ju Zhengyu , Zheng Tianrui , Zhang Bowen , Yu Guihua
Published: August 2024

This invited tutorial review presents key design principles for interfacial engineering in multivalent aqueous batteries including deposition regulation, ion flux homogenization, and solvation modulation.
Catalytic dehydrogenation for hydrogen production controlled by metal-supported heterogeneous catalysts
Authors: Choi Yuyeol , Wu Xinkai , Lee Ji-Woong , Na Kyungsu
Published: August 2024

Dehydrogenation is a chemical reaction that produces value-added hydrogen-deficient chemical compounds with hydrogen molecules that can be ubiquitously used in chemical industries.
Halide-guided carbon-affinity active sites in BimOnBrp-derived Bi2O2CO3 for efficient electrocatalytic CO2 reduction to formate
Authors: Yang Dengye , Mao Qing , Feng Yuting , Zhou Wei
Published: August 2024

Br introduces a bismuth-rich phase (Bi24O31Br10), promoting external Bi–O structural characteristics and superior CO2 electroreduction reaction (CO2RR) performance.
A novel high-performance all-liquid formic acid redox fuel cell: simultaneously generating electricity and restoring the capacity of flow batteries
Authors: Wei Dongbo , Pan Lyuming , Sun Jing , Han Meisheng , Song Manrong , Guo Jincong , Zhang Qing , Xiao Cailin , Li Zheng , Wan Shuaibin , Li Yubai , Zeng Lin , Wei Lei , Zhao Tianshou
Published: August 2024

This work presents an all-liquid formic acid redox fuel cell using degraded redox flow battery electrolyte as the cathode fuel. This approach efficiently generates power while regenerating the electrolyte, advancing energy conversion and storage.
Electrostatic microfiltration (EM) enriches and recovers viable microorganisms at low-abundance in large-volume samples and enhances downstream detection
Authors: Liu Yaoping , Raymond Joshua J. , Wu Xiaolin , Chua Patrina Wei Lin , Ling Sharon Yan Han , Chan Chia Ching , Chan Cheryl , Loh Joanne Xin Yi , Song Melody Xing Yen , Ong Matilda Yu Yan , Ho Peiying , Mcbee Megan E. , Springs Stacy L. , Yu Hanry , Han Jongyoon
Published: August 2024

Electrostatic microfiltration (EM) for enrichment and recovery of low-abundance viable microorganisms from large-volume samples: enhancing downstream detection of pathogens below sampling limits.
Investigation of upconversion and photoacoustic properties of NIR activated Er3+/Yb3+ doped [RE]VO4 (RE = Y, Gd) phosphors for photothermal conversion applications
Authors: K. V. Cinumon , Sarkar Minarul I. , Kumar Kaushal
Published: August 2024

Er3+/Yb3+ doped YVO4 and GdVO4 phosphors were prepared through the combustion technique and were characterized through various techniques.
First Cu-nanostar as a sustainable catalyst realized through synergistic effects of bowl-shaped features and surface activation of sporopollenin exine
Authors: Gowri Vijayendran , Kumari Sarita , Sharma Raina , Selim Abdul , Jayamurugan Govindasamy
Published: August 2024

The bowl-shaped outer surface of biomass-derived sporopollenin has been combined with polyethyleneimine functionalization to develop CuO nanostars for the first time that show efficient triazole formation under sustainable conditions.
Achieving a balance of rapid Zn2+ desolvation and hydrogen evolution reaction inertia at the interface of the Zn anode
Authors: Xiao Xiaofen , Wang Deqiang , Xu Guangyi , Zhang Zhuxiang , Li Jun , Wang Shun , Yuan Yifei , Hu Chuangang , Jin Huile
Published: August 2024

It is difficult to achieve fast kinetics of Zn2+(H2O)6 desolvation as well as HER inertia at the same electrolyte/Zn interface during long-term cycling of Zn plating/stripping in aqueous Zn-ion batteries.
Construction of Z-scheme heterojunction interfacial charge transfer pathways in ZnIn2S4@NENU-5 for photocatalytic hydrogen evolution
Authors: Kong Xu , Wang Kai , Yu Hai , Jin Zhiliang
Published: August 2024

In this study, a straightforward one-step hydrothermal method was employed to embed NENU-5 nano-octahedra (NOs) within ZnIn2S4 nanoflowers (NFs), forming ZnIn2S4@NENU-5 heterostructures.
Fluorescent N-oxides: applications in bioimaging and sensing
Authors: Dubey Yogesh , Kanvah Sriram
Published: August 2024

This review covers advancements in heterocyclic N-oxides-based fluorescent probes, highlighting their use as bioimaging agents and sensors for hypoxic cell lines and Fe(ii) analytes. The knowledge can aid in the development of ‘organelle-specific’ ‘turn-on’ sensing probes.
Optimization of culture conditions of Scenedesmus sp. algae and catalytic performance of a NiFe2O4@SiO2/MgO magnetic nano-catalyst for biodiesel production
Authors: Abazari Peyman , Masoum Saeed , Hosseini Tafreshi Seyed Ali
Published: August 2024

This study aims to optimize the lipid content of Scenedesmus sp. for high-yield biodiesel production.
Retarding the capacity fading and voltage decay of Li-rich Mn-based cathode materials via a compatible layer coating for high-performance lithium-ion batteries
Authors: Liu Shaofeng , Yue Haifeng , Mo Yan , Luo Liang , Wu Xiaozhen , Yang Shunyi , Huang Youyuan , Yuan Guohui
Published: August 2024

Ce doping and Li2CeO3 coating are favorable for enhancing the electrochemical performance of Li-rich Mn-based layered oxides.
Thermophysical properties of tetrabutylammonium chloride, paraffin and fatty acids for thermal energy applications
Authors: Costa Tomás , Sanchez-Vicente Yolanda , Yang Zili , Stevens Lee A. , Dias Fabio de S. , Costa Pereira Sol-Carolina
Published: August 2024

Viscosities, densities, phase change enthalpies and thermal conductivities of OM65, stearic acid, RT64HC and tetrabutylammonium chloride for thermal application.
Electrospinning technology: a promising approach for tendon–bone interface tissue engineering
Authors: Liang Chengzhi , Fan Zaiwei , Zhang Zirui , Wang Pinkai , Deng Hui , Tao Jun
Published: August 2024

This review highlights recent advances in tendon–bone interface (TBI) tissue regeneration, focusing on the application of electrospinning technology.
Investigation of pantoprazole loading and release from a magnetic-coated chitosan-modified zirconium-based metal–organic framework (MOF) as a nanocarrier in targeted drug delivery systems
Authors: Yaghoubian Ali , Setoodehkhah Moslem , Parsa Fatemeh
Published: August 2024

This study reports a novel magnetic and porous nanocomposite, Fe3O4@CS@UIO-66-NH2(Zr), developed by growing a zirconium-based metal–organic framework on magnetite–chitosan.
Large magnetic anisotropy and enhanced Curie temperature in two-dimensional MnTe2 coupled with β-phase group-VA semiconductor monolayers
Authors: Chen Wei , Liao Jujian , Zhu Peidong , Liu Hui , Zhu Zhengjian , Zheng Yu , Liu Jindong
Published: August 2024

Magnetic moment and specific heat capacity as a function of temperature for (a) pure MnTe2, (b) MnTe2/As, (c) MnTe2/Sb and (d) MnTe2/Bi via Monte Carlo simulations.
Mechanisms and selectivity of methanol oxidation on PtRuM3/C-MWCNT (M = Fe and Co) electrocatalysts
Authors: Quan Dang Long , Chihaia Viorel , Son Do Ngoc
Published: August 2024

Methanol oxidation reaction mechanisms on PtRuM3/C-MWCNT (M = Fe and Co) electrocatalysts is elucidated. Many results support the results of our previous experiment.
Implications for applicability of the photodegradation and self-recovery of green-emitting CsPbBr3 perovskite nanocrystals
Authors: Iso Yoshiki , Saito Shunsuke , Toyoda Hikari , Isobe Tetsuhiko
Published: August 2024

The photodegradation and self-recovery of CsPbBr3 nanocrystals changed body color, luminescence intensity, and illumination color of devices, potentially broadening applicability.
Photocatalysis oxidative desulfurization of dibenzothiophene in extremely deep liquid fuels on the Z-scheme catalyst ZnO–CuInS2–ZnS intelligently integrated with carbon quantum dots: performance, mechanism, and stability
Authors: Nguyen Manh B.
Published: August 2024

In this study, we improved the electrochemical and photocatalytic properties of the ZnO–CuInS2–ZnS (ZCZ) material by integrating with carbon quantum dots with particle sizes from 2 to 5 nm.
Nucleation and growth process of a softened-spark layer during microarc oxidation on a selective laser melted Ti alloy
Authors: Li Dong-ying , Lin Hai-mei , Wang Xiao-ming , Li Meng-qi , Wang Bin , Zhou Zi-xiong
Published: August 2024

A two-step method for preparing composite coatings with different composition on Ti alloys using softened spark microarc oxidation technology was proposed.
Coordination-cage binding and catalysed hydrolysis of organophosphorus chemical warfare agent simulants
Authors: Sudittapong Burin , Taylor Christopher G. P. , Williams James , Griffiths Rebecca J. , Hiscock Jennifer R. , Ward Michael D.
Published: August 2024

Simulants of organophosphate chemical warfare agents can bind in the cavity of an octanuclear coordination cage (the figure shows a carbonate-based guest), resulting in some cases in catalysed hydrolytic decomposition.
Effect of deuterium content on the structural, optical, and thermal properties of DKDP crystals: a systematic analysis
Authors: Lei Guodong , Zhang Lisong , Xu Mingxia , Liu Baoan , Sun Xun
Published: August 2024

A series of DKDP crystals with different deuterium contents were grown and their structural, optical and thermal properties were systematically studied.
Addition of silver nanoparticles to the zinc ferrite/polyaniline composition for boosting its visible photocatalytic degradation
Authors: Jaafar Safanah Sahib , Faeq Rana Ismael , Naji Amel Muhson , Nief Olfat A. , Mohammed Mustafa K. A.
Published: August 2024

Enhancing the photocatalytic activity of ZnFe2O4 with a good energy band gap to degrade industrial waste under sunlight illumination can help to develop green environments.
Detection of low-concentration heavy metal exploiting Tamm resonance in a porous TiO2 photonic crystal
Authors: Elsayed Asmaa M. , Ahmed Ashour M. , Aly Arafa H. , Eissa M. F. , Tammam M. T.
Published: August 2024

Schematic diagram of the proposed sensor consisting of prism/Ag/cavity/PTO PC.
Determination of the significance of atomic concentration on surface properties of BaxMg1−xF2 alloy coatings via microscopic and spectroscopic techniques
Authors: Baris Ezgi , Tanoren Bukem , Dipcin Beste , Guzelcimen Feyza
Published: August 2024

Both BaF2 and MgF2 compounds and BaxMg1−xF2 alloy thin films were deposited on glass and silicon (Si) substrates in nanometric sizes (100 ± 10 nm) in a high vacuum environment by radio frequency (rf) magnetron sputtering.
Enhanced oxidative stability of deuterated squalene: the impact of labelling extent on chemical resilience
Authors: Möller Johanna , Recsei Carl , Russell Robert , Darwish Tamim
Published: August 2024

The deuteration of squalene enhances the oxidative stability of this crucial ingredient, nutrient and antioxidant.
Interaction of anionic Fe3O4 nanoparticles with lipid vesicles: a review on deformation and poration under various conditions
Authors: Karal Mohammad Abu Sayem , Billah Md. Masum , Nasrin Tawfika , Moniruzzaman Md.
Published: August 2024

The deformation and poration of cell-mimetic giant unilamellar vesicles induced by anionic magnetite (Fe3O4) nanoparticles under various conditions have been discussed. This could lead to potential applications in the field of biomedical research.
Origin of copper dissolution under electrocatalytic reduction conditions involving amines
Authors: Guan Yani , Kümper Justus , Mürtz Sonja D. , Kumari Simran , Hausoul Peter J. C. , Palkovits Regina , Sautet Philippe
Published: August 2024

Copper electrodes corrode using mixtures of acetone and methylamine even under reductive potential conditions. Simulations explain this dynamical process from a microscopic perspective through the formation of a surface Cu–amine complex.
Predicting novel targets with Bayesian machine learning by integrating multiple biological signatures
Authors: Wei Xiao , Zhu Tingfei , Yip Hiu Fung , Fu Xiangzheng , Jiang Dejun , Deng Youchao , Lu Aiping , Cao Dongsheng
Published: August 2024

FMBS leverages a Bayesian framework to integrate 25 predictable biological space characterizations, capturing novel targets that traditional chemical descriptors miss, thereby enhancing target prediction accuracy through scaffold hopping.
Pd-incorporated polyoxometalate catalysts for electrochemical CO2 reduction
Authors: Kawakami Kimitake , Yabe Tomohiro , Amano Fumiaki , Yamaguchi Kazuya , Suzuki Kosuke
Published: August 2024

We investigated the electrochemical CO2RR performance of a Pd-incorporated polyoxometalate ([H2SiW10O36Pd2(OAc)2]4−) possessing various countercations on a carbon electrode and found that the Ba2+ salt exhibited selective CO production over 12 h.
Features of heterogeneously charged systems at their liquid–liquid critical point
Authors: Notarmuzi Daniele , Bianchi Emanuela
Published: August 2024

Globular units with heterogeneous surface charge distributions display a liquid–liquid phase separation. The location of the critical point and their ability to bond depend on the interplay between surface pattern and net charge.
Fine-tuning ultramicroporosity in PIM-1 membranes by aldehyde functionalization for efficient hydrogen separation
Authors: Lee Tae Hoon , Joo Taigyu , Jean-Baptiste Philippe , Dean Pablo A. , Yeo Jing Ying , Smith Zachary P.
Published: August 2024

Aldehyde functionalization of PIM-1 improves the free volume structure of the polymer to access membrane films with high H2-based selectivities.
In situ biocatalytic ATP regulated, transient supramolecular polymerization
Authors: Mishra Ananya , Das Angshuman , George Subi J.
Published: August 2024

This work shows the biocatalytic ATP regulation induced self-assembly of one-dimensional nanostructures akin to the self-assembly process of actin. Coupled ATP generation and ATP hydrolysis render the supramolecular aggregates transient.
General synthesis for supported single-atom catalysts using hydroxyl nests in zeolites
Authors: Liu Qiang , Wang Jingnan , Zhao Kaiheng , Yang Yongan , Wang Xi
Published: August 2024

A general method for synthesizing single-atom catalysts (SACs) has been developed using direct impregnation, leveraging the internal silanol structure of molecular sieves to trap metal species.
Predicting stellar rotation periods using XGBoost
Authors: Gomes Nuno R. C. , Del Sordo Fabio , Torgo Luís
Published: August 2024

Context. The estimation of rotation periods of stars is a key challenge in stellar astrophysics. Given the large amount of data available from ground-based and space-based telescopes, there is a growing interest in finding reliable methods to quickly and automatically estimate stellar rotation periods with a high level of accuracy and precision.

Aims. This work aims to develop a computationally inexpensive approach, based on machine learning techniques, to accurately predict thousands of stellar rotation periods.

Methods. The innovation in our approach is the use of the XGBoost algorithm to predict the rotation periods of Kepler targets by means of regression analysis. Therefore, we focused on building a robust supervised machine learning model to predict surface stellar rotation periods from structured data sets built from the Kepler catalogue of K and M stars. We analysed the set of independent variables extracted from Kepler light curves and investigated the relationships between them and the ground truth.

Results. Using the extreme gradient boosting (GB) method, we obtained a minimal set of variables that can be used to build machine learning models for predicting stellar rotation periods. Our models have been validated by predicting the rotation periods of about 2900 stars. The results are compatible with those obtained by classical techniques and comparable to those obtained by other recent machine learning approaches, with the advantage of using fewer predictors. When restricting the analysis to stars with rotation periods of less than 45 d, our models are on average wrong less than 5% of the time.

Conclusions. We have developed an innovative approach based on a machine learning method to accurately fit the rotation periods of stars. Based on the results of this study, we conclude that the best models generated by the proposed methodology can compete with the latest state-of-the-art approaches, while offering the advantage of being computationally cheaper, easy to train, and reliant only on small sets of predictors.