bluuebunny/crossref_metadata_2025 huggingface dataset:
Resistance to linezolid in Staphylococcus aureus by mutation, modification, and acquisition of genes
Authors: Yang Wenjing , Chen Taoran , Zhou Qi , Xu Jiancheng
Published: October 2024

Linezolid binds to the 50S subunit of the bacterial ribosome, inhibiting bacterial protein synthesis by preventing the formation of the initiation complex. Oxazolidinone antimicrobial drugs represent the last line of defense in treating Staphylococcus aureus infections; thus, resistance to linezolid in S. aureus warrants high priority. This article examines the major mechanisms of resistance to linezolid in S. aureus, which include: mutations in the domain V of 23S rRNA (primarily G2576); chromosomal mutations in the rplC, rplD, and rplV genes (encoding the ribosomal uL3, uL4, and uL22 proteins, respectively); the exogenous acquisition of the methylase encoded by the chloramphenicol-florfenicol resistance (cfr) gene; the endogenous methylation or demethylation of 23S rRNA; the acquisition of optrA and poxtA resistance genes; and the existence of the LmrS multidrug efflux pump. In conclusion, these mechanisms mediate resistance through mutations or modifications to the bacterial target, thereby reducing the affinity of linezolid for the peptidyl transferase center (PTC) binding site or by preventing the binding of linezolid to the PTC through a ribosomal protective effect. The existence of additional, unexplained resistance mechanisms requires further investigation and verification.
Plasma and serum volume remain unchanged following a 12-h fast from food and drink despite changes in blood and urinary hydration markers
Authors: Morgan Jessica E. , Dunning Olivia N. , Tocci Nicholas D. , Mauney Erica L. , Yazell Aidan S. , Rogatzki Matthew J.
Published: October 2024

Background/Objectives

The effect of mild dehydration on plasma and serum volume has not been well established. Furthermore, the ability of urinary and blood biomarkers to monitor small hydration changes have not been solidified. There were two objectives of this research: 1. Determine if mild dehydration affects plasma and serum volume; 2. Determine if mild dehydration can be detected better by urinary or blood biomarkers.

Subjects/Methods

47 subjects were recruited; 10 subjects were removed from the study and 37 subjects (27% male) completed the study. This was a crossover study design such that each subject underwent all protocols in a counterbalanced order. Protocols consisted of 12-h dehydration, 12-h hydration, and control.

Results

Neither plasma volume (p = 0.914), plasma volume status (p = 0.649), nor serum volume (p = 0.273) were different among protocols. Body mass (p < 0.001) was lower following the dehydration protocol. Urine color (p < 0.001), urine osmolality (p < 0.001), urine specific gravity (p < 0.001), serum osmolality (p < 0.001), and plasma osmolality (p < 0.001) were all lower following the hydration protocol. Hematocrit (p = 0.842) and hemoglobin concentration (p = 0.558) were not different among protocols.

Conclusions

Dehydration did not affect plasma or serum volume. Therefore, a 12-h fast from food and water as done in this study will not likely affect laboratory test results of biomarker concentration. All 3 urinary measures were able to detect changes in hydration status, whereas only 2 blood measures were able to detect changes in hydration status. This may indicate that urinary measures are best at detecting small changes in hydration status.
Computational approaches for identifications of altered ion channels in keratoconus
Authors: Gaikwad Kiran Bharat , Babu Jayavigneeswari Suresh , Parthasarathi K. T. Shreya , Narayanan Janakiraman , Padmanabhan Prema , Pandey Akhilesh , Gundimeda Seetaramanjaneyulu , Elchuri Sailaja V. , Sharma Jyoti
Published: October 2024

Background

Keratoconus is an etiologically complex, degenerative corneal disease that eventually leads to loss of corneal integrity. Cells in corneal epithelium and endothelium express various types of ion channels that play important roles in ocular pathology. This emphasizes the need of understanding alterations of ion channels in keratoconus.

Method

Differential gene expression analysis was performed to identify deregulated ion channels in keratoconus patients using transcriptomic data. Thereafter correlation analysis of ion channel expression was performed to obtain the changed correlation between ion channels’ expression in keratoconus patients versus control samples. Moreover, Protein-protein interaction networks and a pathway map was constructed to identify cellular processes altered due to the deregulation of ion channels. Furthermore, drugs interacting with deregulated ion channels were identified.

Results

Total 75 ion channels were found to be deregulated in keratoconus, of which 12 were upregulated and 63 were downregulated. Correlations between ion channel expressions found to be different in control and keratoconus samples. Thereafter, protein-protein interactions network was generated to identify hub ion channels in network. Furthermore, the pathway map was constructed to depict calcium signalling, MAPK signalling, synthesis and secretion of cortisol, and cAMP signalling. The 19 FDA- approved drugs that interact with the 5 deregulated ion channels were identified.

Conclusion

Down-regulation of voltage-gated calcium channels can be attributed to reduced cell proliferation and differentiation. Additionally, deregulated ion channels in 3’,5’- cyclic adenosine monophosphate signalling may be responsible for elevated cortisol level in progressive keratoconus patients.
A zircon case for super-wet arc magmas
Authors: Nathwani Chetan , Blundy Jon , Large Simon J. E. , Wilkinson Jamie J. , Buret Yannick , Loader Matthew A. , Tavazzani Lorenzo , Chelle-Michou Cyril
Published: October 2024

Arc magmas have higher water contents (2-6 wt.% H2O) than magmas generated in other tectonic environments, with a growing body of evidence suggesting that some deep arc magmas may be ‘super-wet’ (>6 wt.% H2O). Here, we use thermodynamic modelling to show that the behaviour of zirconium during magmatic differentiation is strongly sensitive to melt water contents. We demonstrate that super-wet magmas crystallise zircon with low, homogeneous titanium concentrations (75th percentile <10 ppm) due to a decrease in zircon saturation temperatures with increasing melt H2O. We find that zircon titanium concentrations record a transition to super-wet magmatism in Central Chile immediately before the formation of the world’s largest porphyry copper deposit cluster at Río Blanco-Los Bronces. Broader analysis shows that low, homogeneous zircon titanium concentrations are present in many magmatic systems. Our study suggests that super-wet magmas are more common than previously envisaged and are fundamental to porphyry copper deposit mineralisation.
Preserving precise choreography of bonds in Z-stereoretentive olefin metathesis by using quinoxaline-2,3-dithiolate ligand
Authors: Grzesiński Łukasz , Nadirova Maryana , Guschlbauer Jannick , Brotons-Rufes Artur , Poater Albert , Kajetanowicz Anna , Grela Karol
Published: October 2024

The Z-alkene geometry is prevalent in various chemical compounds, including numerous building blocks, fine chemicals, and natural products. Unfortunately, established Mo, W, and Ru Z-selective catalysts lose their selectivity at high temperatures required for industrial processes like reactive distillation, which limits their synthetic applications. To address this issue, we develop a catalyst capable of providing Z-alkenes with high selectivity under harsh conditions. Our research reveals a dithiolate ligand that, stabilised by resonance, delivers high selectivity at temperatures up to 150 °C in concentrated mixtures. This distinguishes the dithioquinoxaline complex from existing Z-selective catalysts. Notably, this trait does not compromise the new catalyst’s usability under classical conditions, matching the activity of known stereoretentive catalysts. Density Functional Theory calculations were employed to understand the reaction mechanism and selectivity, and to investigate the poisoning that the catalyst may undergo and how it competes with catalytic activity. Furthermore, the quinoxaline-based catalyst enables the valorisation of bio-sourced alkene feedstocks and the production of agricultural sex pheromones for pest control.
All-to-all reconfigurability with sparse and higher-order Ising machines
Authors: Nikhar Srijan , Kannan Sidharth , Aadit Navid Anjum , Chowdhury Shuvro , Camsari Kerem Y.
Published: October 2024

Domain-specific hardware to solve computationally hard optimization problems has generated tremendous excitement. Here, we evaluate probabilistic bit (p-bit) based Ising Machines (IM) on the 3-Regular 3-Exclusive OR Satisfiability (3R3X), as a representative hard optimization problem. We first introduce a multiplexed architecture that emulates all-to-all network functionality while maintaining highly parallelized chromatic Gibbs sampling. We implement this architecture in a single Field-Programmable Gate Array (FPGA) and show that running the adaptive parallel tempering algorithm demonstrates competitive algorithmic and prefactor advantages over alternative IMs by D-Wave, Toshiba, and Fujitsu. We also implement higher-order interactions that lead to better prefactors without changing algorithmic scaling for the XORSAT problem. Even though FPGA implementations of p-bits are still not quite as fast as the best possible greedy algorithms accelerated on Graphics Processing Units (GPU), scaled magnetic versions of p-bit IMs could lead to orders of magnitude improvements over the state of the art for generic optimization.
Raman-phonon-polariton condensation in a transversely pumped cavity
Authors: Bourzutschky Alexander N. , Lev Benjamin L. , Keeling Jonathan
Published: October 2024

Phonon polaritons are hybrid states of light and matter that are typically realised when optically active phonons couple strongly to photons. We suggest a new approach to realising phonon polaritons, by employing a transverse-pumping Raman scheme, as used in experiments on cold atoms in optical cavities. This approach allows hybridisation between an optical cavity mode and any Raman-active phonon mode. Moreover, this approach enables one to tune the effective phonon–photon coupling by changing the strength of the transverse pumping light. We show that such a system may realise a phonon-polariton condensate. To do this, we find the stationary states and use Floquet theory to determine their stability. We thus identify distinct superradiant and lasing states in which the polariton modes are macroscopically populated. We map out the phase diagram of these states as a function of pump frequencies and strengths. Using parameters for transition metal dichalcogenides, we show that realisation of these phases may be practicably obtainable. The ability to manipulate phonon mode frequencies and attain steady-state populations of selected phonon modes provides a new tool for engineering correlated states of electrons.
Exposure of elementary school-aged Brazilian children to bisphenol A: association with demographic, social, and behavioral factors, and a worldwide comparison
Authors: Rocha Priscilla R. S. , Moura Hadassa S. R. P. , Silva Nadyellem G. , Neves Francisco A. R. , Sodré Fernando F. , Amato Angélica A.
Published: October 2024

Bisphenol A (BPA) is a plasticizer used to synthesize polycarbonate plastics and epoxy resins and is well-known for its endocrine-disrupting action. BPA occurrence in the environment is widespread, and there is a growing concern regarding exposure to this chemical during childhood, given the findings indicating the long-lasting hazards associated with exposure during early life compared to adulthood. We examined urinary BPA concentrations from 319 elementary school-aged Brazilian children, using high-performance liquid chromatography coupled to high-resolution mass spectrometry. We found that urinary BPA was detectable in the majority of children, and that urinary BPA levels were higher among children with lower family income and lower maternal educational levels. BPA levels found herein were compared with those from countries with different regulation policies concerning exposure to BPA. They were similar to those reported from studies conducted in Egypt and Australia. Despite more protective regulatory policies in the European Union, they were similar or lower than those reported in European studies. Our findings indicate that exposure of Brazilian children to BPA is widespread and comparable to or even lower than that of countries with stricter regulatory policies.
Energy management system for multi interconnected microgrids during grid connected and autonomous operation modes considering load management
Authors: Shaker H. K. , Keshta H. E. , Mosa Magdi A. , Ali A. A.
Published: October 2024

This study focuses on improving power system grid performance and efficiency through the integration of distributed energy resources (DERs). The study proposes an artificial intelligence (AI) based effective approach for economic dispatch and load management for three linked microgrids (MGs) that operate in both grid-connected and autonomous modes. A day-ahead scheduling method is suggested to calculate the optimal set points for various energy sources in MGs considering various system constraints for safe operation. In addition, a load management approach that shifts the controllable loads from one interval to another is applied to reduce the operating cost of MG. To handle the optimization challenges of energy scheduling and load shifting such complexity and non-linearity, an advanced meta-heuristic method known as the one-to-one based optimizer (OOBO) is used. Overall, the paper proposes a viable and efficient methodology for economical distribution in linked microgrids, which takes advantage of renewable energy resources and incorporates scheduling optimization via the OOBO algorithm. The proposed energy management strategy enhances the system performance, increases energy efficiency, and reduces the daily operational cost by 1.6% for grid connected mode and by 0.47% for islanded operation mode.
Multi-scale correlation of impact-induced defects in carbon fiber composites using X-ray scattering and machine learning
Authors: Sexton Alexander H. , Suhonen Heikki , Huss-Hansen Mathias K. , Demchenko Hanna , Kjelstrup-Hansen Jakob , Schwartzkopf Matthias , Knaapila Matti
Published: October 2024

Impact-induced defects in carbon fiber-reinforced polymers (CFRPs)-spanning from nanometer to macroscopic length scales-can be monitored using an aggregate of X-ray-based methods, but this is impractical in typical field conditions. We report on a low-velocity impacted CFRP, which is mapped using small- and wide-angle X-ray scattering and X-ray computed tomography, and employ machine learning for correlating material parameterizations derived from these techniques. The observed 1 $$\mu$$
μ
m to 1 mm-sized defects are parameterized in terms of relative density and fiber orientation indicative of fiber failures (kink bands), and the nanometer sized defects in terms of crystal size and unit cell frustration. The 30 to 300 nm defects are parameterized by a power-law scattering decay, differentiating fractal-like behaviors. We find three spatial domains experimentally and by K-means Clustering: Domains of severe damage (with a visual dent), intact domains (without visual or measurable defects) and a transition domain (defects measurable by X-rays). How the parameters are correlated and how they overlap between the domains are discussed. All parameters are able to point to the detrimental fiber breakage in the severe damage domain, and scattering decay also in the transition domain, for example. How individual parameters determined from one experimental technique can be predicted from that of another is also described.
Observations indicate regionally misleading wetting and drying trends in CMIP6
Authors: Jensen Laura , Gerdener Helena , Eicker Annette , Kusche Jürgen , Fiedler Stephanie
Published: October 2024

We evaluate trends in terrestrial water storage over 1950–2100 in CMIP6 climate models against a new global reanalysis from assimilating GRACE and GRACE-FO satellite observations into a hydrological model. To account for different timescales in our analysis, we select regions in which the influence of interannual variability is relatively small and observed trends are assumed to be representative of the development over longer periods. Our results reveal distinct biases in drying and wetting trends in CMIP6 models for several world regions. Specifically, we see high model consensus for drying in the Amazon, which disagrees with the observed wetting. Other regions show a high consensus of models and observations suggesting qualitatively correctly simulated trends, e.g., for the Mediterranean and parts of Central Africa. A high model agreement might therefore falsely indicate a robust trend in water storage if it is not assessed in light of the observed developments. This underlines the potential use of maintaining an adequate observational capacity of water storage for climate change assessments.
Addressing fairness issues in deep learning-based medical image analysis: a systematic review
Authors: Xu Zikang , Li Jun , Yao Qingsong , Li Han , Zhao Mingyue , Zhou S. Kevin
Published: October 2024

Deep learning algorithms have demonstrated remarkable efficacy in various medical image analysis (MedIA) applications. However, recent research highlights a performance disparity in these algorithms when applied to specific subgroups, such as exhibiting poorer predictive performance in elderly females. Addressing this fairness issue has become a collaborative effort involving AI scientists and clinicians seeking to understand its origins and develop solutions for mitigation within MedIA. In this survey, we thoroughly examine the current advancements in addressing fairness issues in MedIA, focusing on methodological approaches. We introduce the basics of group fairness and subsequently categorize studies on fair MedIA into fairness evaluation and unfairness mitigation. Detailed methods employed in these studies are presented too. Our survey concludes with a discussion of existing challenges and opportunities in establishing a fair MedIA and healthcare system. By offering this comprehensive review, we aim to foster a shared understanding of fairness among AI researchers and clinicians, enhance the development of unfairness mitigation methods, and contribute to the creation of an equitable MedIA society.
pH Adaptation stabilizes bacterial communities
Authors: Mougi Akihiko
Published: October 2024

Diverse microbes in nature play an important role in ecosystem functioning and human health. Nevertheless, it remains unclear how microbial communities are maintained. This study proposes that evolutionary changes in the pH niche of bacteria can promote bacterial coexistence. Bacteria modify the pH environment and also react to it. The optimal environmental pH level for a given species or pH niche can adaptively change in response to the changes in environmental pH caused by the bacteria themselves. Theory shows that the evolutionary changes in the pH niche can stabilize otherwise unstable large bacterial communities, particularly when the evolution occurs rapidly and diverse bacteria modifying pH in different directions coexist in balance. The stabilization is sufficiently strong to mitigate the inherent instability of system complexity with many species and interactions. This model can show a relationship between pH and diversity in natural bacterial systems.
Hybrid care in mental health: a framework for understanding care, research, and future opportunities
Authors: Chen Kelly , Huang Jack J. , Torous John
Published: October 2024

Technology is playing an increasing role in healthcare, especially in mental health. Traditional mental healthcare, whether in-person or via telehealth, cannot by itself address the massive need for services. Standalone technology such as smartphone apps, while easily accessible, have seen limited engagement and efficacy on their own. Hybrid care – the combination of synchronous in-person or telehealth appointments with the use of asynchronous digital tools such as smartphone applications, wearable devices, or digital therapeutics – has the potential to offer the best of both worlds, providing both increased access and higher engagement and efficacy. In this paper, we present a framework highlighting the key components of hybrid care models: digital intervention, human support, and target population. This framework can be used to evaluate existing models in the literature and in practice, identify areas of need and opportunity, and serve as a blueprint for key elements to consider when designing new hybrid care models.
Why Doesn’t the Invisible Woman Bump Into Things?
Authors: Day Kat
Published: October 2024

Invisibility is perhaps the most intriguing and potentially useful superpower of all, but being invisible whilst still retaining the power of sight is actually rather tricky. How does Susan Storm, the Invisible Woman, do what she does? Could refraction hold the key? Is she perhaps bending light waves with some sort of gravitational field? Might adaptive camouflage hold the key? Or is it simple psychology? In this chapter we will take a look (pun intended) at the fascinating science of invisibility. Why doesn’t the invisible woman keep bumping into things?
Iridium/chiral phosphoramidite–olefin complex-catalysed enantioselective [3+2] annulation of ortho-ketoarylboron compounds with conjugated dienes
Authors: Yabe Ryota , Nishimura Takahiro
Published: October 2024

Iridium-catalysed asymmetric [3+2] annulation proceeded to give indanol derivatives with high enantioselectivity by using a phosphoramidite–olefin ligand.
Underwater superoleophobic and magnetic hydrogel for cascade chemical reactions
Authors: Sarma Hrisikesh , Mandal Subhankar , Kumar Saurav , Manna Uttam
Published: October 2024

In situ deposition of magnetic nanoparticles in a hydrogel having an interpenetrated network provided a high-water-content, tolerant magnetic hydrogel with high saturation magnetization and extreme oil repellence underwater.
Effects of steric hindrance from single-stranded overhangs on target-strand loading into the Cas12a active site
Authors: Son Heyjin , Kang Youngjae , Song Yo Han , Park Jaeil , Lee Sanghwa
Published: October 2024

Single-molecule FRET data reveals that the crRNA and cleaved NTS overhangs sterically inhibit TS loading, thereby reducing TS cleavage efficiency.
N-doped CoO-anchored ultrafine Pt nanoparticles for acidic hydrogen evolution reaction
Authors: Wen Xin , Wang Dewen , Fan Jinchang , Gao Tianyi , Li Xinyi , Liu Yanhua , Ruan Xiaowen , Cui Xiaoqiang
Published: October 2024

Introducing electron-rich nitrogen between Pt and CoO facilitates the adjustment of the electronic structure of the active sites, consequently enhancing performance.
Control of interlayer friction in two-dimensional ferromagnetic CrBr3
Authors: Bi Xinyue , Xu Yushu , Zhang Xinqi , Shi Junqin , Cao Tengfei , Zhou Feng , Liu Weimin , Fan Xiaoli
Published: October 2024

The effects of normal load, biaxial strain and carrier doping on the interlayer coupling of 2D CrBr3 bilayer were studied. The lower energy barrier and tunable interlayer coupling of 2D CrBr3 make it a promising candidate for 2D solid lubricant.
In silico validation of allosteric inhibitors targeting Zika virus NS2B–NS3 protease
Authors: Wang Yeng-Tseng , Hsieh Yuan-Chin , Wu Tin-Yu
Published: October 2024

The Zika virus (ZIKV), a member of the Flaviviridae family, poses a major threat to human health because of the lack of effective antiviral drugs.
Surprising torsional barrier reduction in the coupled methyl internal rotations of 2,3-dimethylfuran observed by microwave spectroscopy
Authors: Buttkus-Barth Mike , Nguyen Thi Ha , Brannys Gregor , Lüchow Arne , Nguyen Ha Vinh Lam
Published: October 2024

Microwave spectroscopy and quantum chemistry reveal unexpectedly low methyl torsional barriers in 2,3-dimethylfuran, challenging steric expectations. Electrostatic effects emerge as the likely cause.
Exploring catalytic oxidation pathways of furfural and 5-hydroxymethyl furfural into carboxylic acids using Au, Pt, and Pd catalysts: a comprehensive review
Authors: Oyegoke Toyese , Dumeignil Franck , E.-Yakubu Jibril Baba , Michel Carine , Wojcieszak Robert
Published: October 2024

This review explores the mechanisms and factors influencing the selective oxidation of HMF and furfural into valuable products using gold, platinum, and palladium catalysts.
Understanding solvent polarity effects on the separation of uranyl porphyrin-derivative complexes
Authors: Hu Shu-Xian , Zhang Lu , Zhou Ke , Zhang Ping
Published: October 2024

The lower polarity solvent has stronger ability to stabilize UO2(L) species, and the uranyl di-pentafluorobenziamethyrin complex exhibit the best selectivity for solvent polarity, all due to the significant orbital interactions of U–N.
Ti3C2Tx MXene-supported ruthenium nanoclusters for efficient electrocatalytic hydrogen evolution
Authors: Li Xuanyin , Fang Dong , Yi Jianhong , Zhang Lang , Liu Jian , Liu Feng
Published: October 2024

We successfully loaded Ru nanoclusters onto MXene nanoparticles to prepare catalysts using a simple one-step hydrothermal method. The well-dispersed, small-sized and high-loading Ru nanoclusters provide the cataylst with sufficient active sites.
Microplastics in Asia: overcoming sampling, analysis, and regulatory challenges to protect the ecosystem – a review
Authors: Sivalingam Sivamani , Priya P. Gomathi , Lakshmi D. Shanthana , Srimath Srinivas T. G.
Published: October 2024

Microplastics (MPs) are emerging contaminants that require attention in sampling, analysis, and characterization in both indoor and outdoor air pollution to mitigate the potential dangers they pose to public health and the economy.
Dietary supplementation with novel selenium-enriched Pichia kudriavzevii regulates gut microbiota and host metabolism in mice
Authors: Wang Huijuan , Shi Dan , Chen Yue , Wang Zhouli , Yuan Yahong , Yue Tianli
Published: October 2024

Insufficient selenium intake can lead to serious health problems.
Tapping into the natural aromatic potential of microbial lignin valorization towards aromatic fine chemicals
Authors: Zhang Xiao-Lei , Liu Zhi-Hua , Li Bing-Zhi , Yuan Ying-Jin
Published: October 2024

Microbial lignin valorization unleashes the inherent aromatic potential of lignin to maximize the production of aromatic fine chemicals.
Upcycling atmospheric CO2 to polyhydroxyalkanoates via sequential chemo-biocatalytic processes
Authors: Bruch Manuel , Sanchez-Velandia Julian E. , Rodríguez-Pereira Jhonatan , Rich Michelle , Pearcy Nicole , Narančić Tanja , Garcia-Verdugo Eduardo , Sans Victor , O'Connor Kevin , Zanatta Marcileia
Published: October 2024

From atmospheric CO2 to green plastics, a sustainable journey.
Retraction: Photo-responsive hole formation in the monolayer membrane wall of a supramolecular nanotube for quick recovery of encapsulated protein
Authors: Kameta N. , Kikkawa Y. , Norikane Y.
Published: October 2024

Retraction of ‘Photo-responsive hole formation in the monolayer membrane wall of a supramolecular nanotube for quick recovery of encapsulated protein’ by N. Kameta et al., Nanoscale Adv., 2022, 4, 1979–1987, https://doi.org/10.1039/D2NA00035K.
Aggregation-enhanced emission and multicolored electrochromic behavior of polyphenyl benzoates
Authors: He Qi , Yin Lin , Li Yu-zhen , Xie Hu , Tang Qian , Shen Wei , Gong Chengbin
Published: October 2024

Various polyphenyl benzoates show aggregation-enhanced emission and good electrochromic performance with different colored states and are applied in multi-colored functional displays.
In-process monitoring of graphene nanoplatelet production using Raman spectroscopy and NMR relaxation
Authors: Marchesini Sofia , Glasgow Lee , Mackay Jennifer , Visconti Marco , Wilhelm Henri , Edwards Michael , Despotelis Konstantinos , Read Oliver , Casiraghi Cinzia , Pollard Andrew J. , Paton Keith R.
Published: October 2024

In-process measurements of GNP production provide real-time information about material properties, enhancing process control.
Radical alkylation of acrylamides with peroxides to access mono/dialkylated fused N-heterocycles
Authors: Fan Jie , Yan Qinqin , Wang Xueli , Li Lijun , Li Zejiang
Published: October 2024

Radical alkylation of acrylamides with peroxides, which resulted in diverse mono/dialkylated polyheterocycles is reported.
Observation of excellent photocatalytic and antibacterial activity of Ag doped ZnO nanoparticles
Authors: Amrute Vaishali , Monika  , Supin K. K. , Vasundhara M. , Chanda Anupama
Published: October 2024

Here, we explore the structural and optical properties of Ag-doped ZnO nanoparticles. We looked at the photocatalytic activity for degrading Methylene Blue and the antibacterial effectiveness against bacterial strains, including Gram-negative Escherichia coli and Gram-positive Bacillus subtilis.
6-Aminocoumarin-derived Schiff base gelators: aggregation and sensing of CN−, Fe3+, Cu2+ and CO2 under different conditions
Authors: Paul Eshani , Raza Rameez , Dhara Subrata Ranjan , Baildya Nabajyoti , Ghosh Kumaresh
Published: October 2024

6-Aminocoumarin derived Schiff bases 1 and 2 show gelation in different solvents. Their DMF–H2O gels recognize CN− among other anions and selectively detect Fe3+ and Cu2+ ions via gel-to-gel colour change. CN− ensembles of 1 and 2 also detect CO2.
Pyrazinoquinoxaline derivatives for flexible electronic devices: effect of the mechanical properties of the crystals on device durability
Authors: Bezboruah Jasmine , Khator Kanha Ram , Gayen Sayantan , Sanke Devendra Mayurdhwaj , Mahapatra Biplab , Sahoo Anshuman , Nayak Amlandeep , Reddy C. Malla , Senanayak Satyaprasad P. , Zade Sanjio S.
Published: October 2024

We explore the p-type charge transport and mechanical characteristics of two newly synthesized PQ derivatives: DPTTQ and HTPQ. The flexural nature of the HTPQ crystals exhibited better mobility for integration into organic electronic devices.
Thermodynamics-consistent graph neural networks
Authors: Rittig Jan G. , Mitsos Alexander
Published: October 2024

We propose excess Gibbs free energy graph neural networks (GE-GNNs) for predicting composition-dependent activity coefficients of binary mixtures.
Cyclodextrin supramolecular assembly confined luminescent materials
Authors: Zhou Xiaolu , Zhang Hengzhi , Liu Yu
Published: October 2024

Cyclodextrin-spatially confined supramolecular assemblies not only induce or promote the luminescence of guests, but are also widely applied in cell imaging, sensing, anti-counterfeiting, and flexible light-emitting devices.
The role of ions in hydrovoltaic power generation
Authors: Kay George , Stamplecoskie Kevin
Published: October 2024

Hydrovoltaic devices generate power from the transfer of ambient thermal energy involved in water evaporation.
Bending of polymer films: a method for obtaining a compressive modulus of thin films
Authors: Ohara Akihiro , Okumura Ko
Published: October 2024

We constructed a theory and method for measuring the compressive modulus by combining tensile and bending tests. Elastic asymmetry was confirmed in an industrial PET film.
Life-cycle analysis of lithium chemical production in the United States
Authors: Iyer Rakesh Krishnamoorthy , Kelly Jarod C.
Published: October 2024

The life-cycle carbon emissions of Li-chemical production from alternative clays and low Li-content brines in the United States lie between the impacts of its production from two conventional sources: Salar brines and from spodumene ores.
High-purity monomer recovery from commercial engineering plastics by vacuum pyrolysis depolymerization
Authors: Yoshida Eri
Published: October 2024

High-purity monomers recovered from engineering plastics by vacuum pyrolysis can serve as substitutes for their virgin monomers to reproduce the original polymers, forming an economic closed-loop system of the chemical recycling.
A novel synthesis method for nitrogen-rich energetic frameworks containing bistetrazoles: assembling an advanced high-energy density material with high nitrogen content and good oxygen balance
Authors: Yu Xuezhi , Tang Jie , Lei Caijin , Xue Chungui , Yang Hongwei , Xiao Chuan , Cheng Guangbin
Published: October 2024

Target compound BDNTT exhibits excellent detonation performance and indicates the potential as a novel type of high-energy density material (HEDM).
Exsolved Cu–ZnO interfaces for methanol production from CO2 at atmospheric pressure
Authors: Soodi Sanaz , Calì Eleonora , Saini Shailza , Skinner William S. , Martin Alex Martinez , Kerherve Gwilherm , Mezzapesa Marco Pietro , Bensaid Samir , Payne David J. , Duyar Melis S. , Kousi Kalliopi
Published: October 2024

An exsolved intimate Cu–ZnO interface allows for the conversion of CO2 to methanol at atmospheric pressures.
Pore engineering of porous framework materials for efficient SF6 capture
Authors: Sun Xiaoxuan , Zhou Liqin , Chen Jianmin , Jia Zhaowei , Zhao Zhongxing , Zhao Zhenxia
Published: October 2024

Sulfur hexafluoride (SF6) is an artificial inert gas widely used in the power and semiconductor industries and is known to be a significant contributor to the greenhouse effect due to its high global warming potential.
Disassembly of self-assembling peptide hydrogels as a versatile method for cell extraction and manipulation
Authors: Ligorio Cosimo , Martinez-Espuga Magda , Laurenza Domenico , Hartley Alex , Rodgers Chloe B. , Kotowska Anna M. , Scurr David J. , Dalby Matthew J. , Ordóñez-Morán Paloma , Mata Alvaro
Published: October 2024

Peptide hydrogels are gaining much interest as 3D cell-laden matrices for cell culture. Here, a tunable protocol based on a metal chelator is proposed to disassemble peptide hydrogels and extract living cells for downstream biological applications.
Unveiling the power of liquid chromatography in examining a library of degradable poly(2-oxazoline)s in nanomedicine applications
Authors: Tsarenko Ekaterina , Göppert Natalie E. , Dahlke Philipp , Behnke Mira , Gangapurwala Gauri , Beringer-Siemers Baerbel , Jaepel Lisa , Kellner Carolin , Pretzel David , Czaplewska Justyna A. , Vollrath Antje , Jordan Paul M. , Weber Christine , Werz Oliver , Schubert Ulrich S. , Nischang Ivo
Published: October 2024

The potential of liquid chromatography in deciphering salient features of polymeric materials is demonstrated, particularly in the case where more common polymer analysis techniques show their limitations.
Retraction: Biologically responsive, sustainable release from metallo-drug coordinated 1D nanostructures
Authors: Kameta Naohiro , Lee Soo Jin , Masuda Mitsutoshi , Shimizu Toshimi
Published: October 2024

Retraction of ‘Biologically responsive, sustainable release from metallo-drug coordinated 1D nanostructures’ by Naohiro Kameta et al., J. Mater. Chem. B, 2013, 1, 276–283, https://doi.org/10.1039/C2TB00101B.
Effect of Level and Frequency of Forward Masker on Auditory Brainstem Response
Authors: Kumar Durga S. , Konadath Sreeraj
Published: October 2024

Purpose:

Forward masking (FM) is characterized by the perception of a signal being reduced or wholly masked due to a preceding sound (masker) of the same or different frequencies that offers a challenge for the auditory system to resolve. Considering that the off-frequency masker is expected to undergo linear processing compared to the on-frequency masker at the signal place, it reflects the peripheral auditory systems' compressive response. Thus, the present study focused on employing FM electrophysiological analogous such as auditory brainstem responses (ABR) to the behavioral masking experiments to objectively measure the frequency and level of processing in the auditory system, from the periphery to the brainstem level.

Method:

The study was an observational research on 21 female volunteers. ABR was obtained using a tone-on-tone FM paradigm for 1000- and 4000-Hz probe stimuli. An experiment used two forward maskers, on-frequency and off-frequency, with varying levels from 50 to 70 dB SPL
.

Results:

A progressive shift for V
th
peak latency and reduction in response amplitude was observed in proportion to the increase of masker level for both the probe stimuli and the masking experiments. However, ABR responses in neither masking condition were observed to differ between 60 and 70 dB SPL
.

Conclusion:

FM ABR experiments are an assessment tool for estimating frequency and level processing in the auditory system, providing good efficiency, reliability, and less subject bias compared to behavioral measures.
Communication, Socialization, and Literacy for Adults With Developmental Disabilities: An Interview Study of Parents' Perspectives and Experiences
Authors: Kim Sojung , Jung Hee-Tae , Thao Sunjung Kim
Published: October 2024

Purpose:

The study highlights the significance of continuous support and services in communication, socialization, and literacy skills for adults with developmental disabilities (DDs). The aim of the study was to gather in-depth information on the individualized needs, lived experiences, and expectations of adults with DD by interviewing their parents.

Method:

A total of 14 parents of adults with DD participated in one-on-one semistructured interviews. During the interviews, parents were asked to describe (a) their children's current communication, socialization, reading and writing skills; (b) the types of communication, socialization, and literacy support their children were receiving; and (c) the types of support that their children needed. Interviews were video- and audio-recorded, transcribed, and analyzed qualitatively using thematic analysis.

Results:

Thematic analysis revealed three main themes and eight subthemes: (1) insufficient support and services for adults with DD (i.e., lack of competent professionals and lack of literacy support), (2) approaches that the parents attempted for their children with DD (i.e., parents' responsibilities, technologies, and pseudoscience), and (3) recommendations for ongoing support and services (i.e., novel technologies, social media, and motivation).

Conclusions:

The study highlights crucial gaps between the participating parents' desire for individualized, consistent, and innovative support and services for their adult children with DD and scarcity of resources in communication, socialization, and literacy. The dearth of evidence-based support and resources leads to easy access to pseudoscience. Future research is warranted to develop innovative, customized, and highly motivating programs in communication, socialization, and literacy for adults with DD.

Supplemental Material:

https://doi.org/10.23641/asha.27214407
An Efficient Approximate Multiplier with Encoded Partial Products and Inexact Counter for Joint Photographic Experts Group Compression
Authors: Esmaeili Elham , Shiri Nabiollah
Published: October 2024

Approximate computing is commonly employed in applications where accuracy is not crucial and aims to enhance circuit performance when inaccurate results are not challenging. The multipliers are power‐hungry, and their approximation has been the target of research, especially by using approximate counters. In this study, a low‐power and high‐speed approximate 4 : 2 counter is proposed to add partial product (PP) bits. Also, a new partial product generation (PPG) is introduced by inserting errors in Karnaugh’s map to reduce the circuit complexity. The counter and PPG make a new radix‐4‐based 8 × 8 Booth multiplier, which is synthesized targeting a 32‐nm carbon nanotube field‐effect transistor (CNTFET) technology to determine the hardware characteristics. Looking at the normalized mean error distance (NMED), the multiplier has a 51.33% power–delay product (PDP) saving and acceptable accuracy. Besides, the multiplier which is configured by the counter and PPG accomplishes a 28.31% savings in the PDP × NMED in comparison with other approximate Booth multipliers. The case study of joint photographic experts group (JPEG) compression is performed, and the proposed multiplier outperforms references by higher quality results along with lower power consumption.
Occluded object 6D pose estimation using foreground probability compensation
Authors: Ren Meihui , Jia Junying , Lu Xin
Published: October 2024

6D object pose estimation usually refers to acquiring the 6D pose information of 3D objects in the sensor coordinate system using computer vision techniques. However, the task faces numerous challenges due to the complexity of natural scenes. One of the most significant challenges is occlusion, which is an unavoidable situation in 3D scenes and poses a significant obstacle in real‐world applications. To tackle this issue, we propose a novel 6D pose estimation algorithm based on RGB‐D images, aiming for enhanced robustness in occluded environments. Our approach follows the basic architecture of keypoint‐based pose estimation algorithms. To better leverage complementary information of RGB‐D data, we introduce a novel foreground probability‐guided sampling strategy at the network's input stage. This strategy mitigates the sampling ratio imbalance between foreground and background points due to smaller foreground objects in occluded environments. Moreover, considering the impact of occlusion on semantic segmentation networks, we introduce a new object segmentation module. This module utilises traditional image processing techniques to compensate for severe semantic segmentation errors of deep learning networks. We evaluate our algorithm using the Occlusion LineMOD public dataset. Experimental results demonstrate that our method is more robust in occlusion environments compared to existing state‐of‐the‐art algorithms. It maintains stable performance even in scenarios with no or low occlusion.
Analysing the performance of AODV, OLSR, and DSDV routing protocols in VANET based on the ECIE method
Authors: El‐Dalahmeh Moawiah , El‐Dalahmeh Adi , Adeel Usman
Published: October 2024

In a vehicular ad hoc network (VANET), vehicles communicate with each other (V2V) and with infrastructure (V2I) to optimise routing and reach their destinations efficiently. Various routing protocols in the VANET environment facilitate the dissemination of different types of messages, such as those for emergencies or traffic updates. However, previous research has not sufficiently addressed the challenges of energy efficiency, security, and reliability in VANET routing. This work aims to fill that gap by analysing the performance of three major VANET routing protocols—ad hoc on‐demand distance vector (AODV), Optimised Link State Routing (OLSR), and Destination Sequenced Distance Vector—integrated with elliptic curve integrated encryption. The goal is to determine the most suitable routing protocol based on these key parameters. The study involves two key processes: registration and authentication, and the analysis of ECIE‐enhanced routing protocols (ECIE‐AODV, ECIE‐OLSR, and ECIE‐DSDV). These protocols were simulated using OMNET++ and SUMO tools, and the results were evaluated based on metrics such as throughput, packet delivery ratio, end‐to‐end delay (e2e), jitter, and routing overhead.
Multiple reference star differential imaging with VLT/SPHERE
Authors: Romero C. , Milli J. , Lagrange A.-M. , De Rosa R. , Ertel S. , del Burgo C.
Published: October 2024

Context. High-contrast imaging observations mostly rely on angular differential imaging, a successful technique for detecting point-sources, such as planets. However, in the vicinity of the star (typically below 300 mas), this technique suffers from signal self-subtraction when there is not enough field rotation. Building large libraries of reference stars from archival data later used to optimally subtract the stellar halo is a powerful technique known as reference star differential imaging (RSDI) that can overcome this limitation.

Aims. We aim at investigating new methods for creating reference libraries composed of multiple stars when applying reference star differential imaging to VLT/SPHERE data. We used for that purpose a data set from the SPHERE High Angular Resolution Debris Disk Survey (SHARDDS), composed of 55 targets observed in broad-band H with the InfraRed Dual-band Imager and Spectrograph (IRDIS) during 2015-2016, with a total of ~20 000 frames. We consider HD 206893, known to host a close-in bound substellar companion HD 206893 B, as a benchmark science target to demonstrate the improved sensitivity provided by this method.

Methods. We created libraries of reference frames based on different image similarity metrics: the cosine distance between descriptors created by a convolutional neural network, the Pearson correlation coefficient, the Structural Similarity Index, the Strehl ratio, and raw contrast criteria. We used principal component analysis (PCA) to subtract the stellar halo and tested various normalization options.

Results. We obtained the best signal-to-noise ratio (S/N) on HD 206893 B by using the Pearson correlation coefficient (PCC) applied to an annulus between 245 and 612 mas to select reference frames. The ten reference libraries with the highest S/N on the substellar companion HD 206893 B were all based on the PCC method, outperforming other similarity metrics. While the Strehl ratio is the environment variable most correlated to the contrast, it is insufficient to select similar images. We also show that having multiple reference stars in the reference library produces better results than using a single well-chosen reference star.

Conclusions. Using the Pearson correlation computed on a specific area of interest to select reference frames is a promising alternative to improve the detectability of faint point-sources when applying reference star differential imaging. In the future, reducing all the data available in the SPHERE archive using this technique might offer interesting results in the search for previously undetected planets.
Spectral reconstruction for radiation hydrodynamic simulations of galaxy evolution
Authors: Baumschlager Bernhard , Shen Sijing , Wadsley James W.
Published: October 2024

Radiation from stars and active galactic nuclei (AGN) plays an important role in galaxy formation and evolution, and profoundly transforms the intergalactic, circumgalactic, and interstellar medium (IGM, CGM, and ISM). On-the-fly radiative transfer (RT) has started being incorporated in cosmological simulations, but the complex evolving radiation spectra are often crudely approximated with a small number of broad bands with piece-wise constant intensity and a fixed photo-ionisation cross-section. Such a treatment is unable to capture the changes to the spectrum as light is absorbed while it propagates through a medium with non-zero opacity. This can lead to large errors in photo-ionisation and heating rates. In this work we present a novel approach of discretising the radiation field at discrete photon energies, at the edges of the typically used photo-ionising bands, in order to capture the power-law slope of the radiation field. In combination with power-law approximations for the photo-ionisation cross-sections, this model allows us to self-consistently combine radiation from sources with different spectra and accurately follow the ionisation states of primordial and metal species through time. The method is implemented in GASOLINE2 in connection with TREVR2, a fast reverse ray tracing algorithm with 𝒪(Nactive log2 N) scaling. We compare our new piece-wise power-law reconstruction to the piece-wise constant method in calculating the primordial chemistry photo-ionisation and heating rates under an evolving UV background (UVB) and stellar spectrum, and find that our method reduces errors significantly, by up to two orders of magnitude in the case of HeII ionisation. We apply our new spectral reconstruction method in RT post-processing of a cosmological zoom-in simulation, MUGS2 g1536, including radiation from stars and a live UVB, and find a significant increase in total neutral hydrogen (HI) mass in the ISM and the CGM due to shielding of the UVB and a low escape fraction of the stellar radiation. This demonstrates the importance of RT and an accurate spectral approximation in simulating the CGM-galaxy ecosystem.