bluuebunny/crossref_metadata_2025 huggingface dataset:
A Practical Guide to Nutrition Support in the Oncology Patient: Tips, Tricks, and Ethical Considerations
Authors: Russell L. , Bode A. Hodge , Dengler A.
Published: July 2024

Purpose of Review

Nutrition support may be indicated in the care for oncology patients. Enteral access include nasoenteric, gastrostomy, and jejunostomy tubes. However, it can be challenging to determine which tube is appropriate and how to manage tube complications such as breakage or dislodgement. This review will highlight the devices, placement techniques and practical guide on the approach to enteral access, and touch on nutrition support options for the oncology patient.

Recent Findings

In regards to tube placement, endoscopic techniques are comparable to radiologically assisted in terms of success and safety. Prediction models have determined who would benefit from prophylactic tube placement, especially in patients with head and neck cancers. However practically some retrospective studies have shown no changes in weight with prophylactic tubes, highlighting the need for further standards on approach for enteral nutrition. Finally, work has continued to explore the need for open communication and shared expectations in management of enteral access in palliative oncology patients.

Overall understanding the indication, placement techniques and management of enteral access and nutrition support is pertinent in the treatment of oncology patients, especially those high risk for malnutrition.
Systematic Review and Meta-Analysis of the Diagnostic Accuracy of a Graded Gait and Truncal Instability Rating in Acutely Dizzy and Ataxic Patients
Authors: Martinez Carlos , Wang Zheyu , Zalazar Guillermo , Carmona Sergio , Kattah Jorge , Tarnutzer Alexander Andrea
Published: July 2024

Background

In patients presenting with acute prolonged vertigo and/or gait imbalance, the HINTS [Head-Impulse, Nystagmus, Test-of-Skew] are very valuable. However, their application may be limited by lack of training and absence of vertigo/nystagmus. Alternatively, a graded gait/truncal-instability (GTI, grade 0–3) rating may be applied.

Methods

We performed a systematic search (MEDLINE/Embase) to identify studies reporting on the diagnostic accuracy of bedside examinations in adults with acute vestibular syndrome. Diagnostic test properties were calculated for findings using a random-effects model. Results were stratified by GTI-rating used.

Results

We identified 6515 articles and included 18 studies (n = 1025 patients). Ischemic strokes (n = 665) and acute unilateral vestibulopathy (n = 306) were most frequent. Grade 2/3 GTI had moderate sensitivity (70.8% [95% confidence-interval (CI) = 59.3–82.3%]) and specificity (82.7 [71.6–93.8%]) for predicting a central cause, whereas grade 3 GTI had a lower sensitivity (44.0% [34.3–53.7%] and higher specificity (99.1% [98.0–100.0%]). In comparison, diagnostic accuracy of HINTS (sensitivity = 96.8% [94.8–98.8%]; specificity = 97.6% [95.3–99.9%]) was higher. When combining central nystagmus-patterns and grade 2/3 GTI, sensitivity was increased to 76.4% [71.3–81.6%] and specificity to 90.3% [84.3–96.3%], however, no random effects model could be used. Sensitivity was higher in studies using the GTI rating (grade 2/3) by Lee (2006) compared to the approach by Moon (2009) (73.8% [69.0–78.0%] vs. 57.4% [49.5–64.9%], p = 0.001).

Conclusions

In comparison to HINTS, the diagnostic accuracy of GTI is inferior. When combined with central nystagmus-patterns, diagnostic accuracy could be improved based on preliminary findings. GTI can be readily applied in the ED-setting and also in patients with acute imbalance syndrome.
Theoretically supported experimental analyses on Safranin O biosorption from textile wastewater via dead biomass of Spirogyra porticalis
Authors: Aksu Aysun , Kütük Nurşah , Çaylak Osman , Kasaka Ergün , Çetinkaya Serap , Maslov Mikhail M. , Kaya Savaş
Published: July 2024

High-performance chemical systems designed to eliminate pollution caused by dyestuffs are still among the focuses of interest of chemists. Non-toxic biological materials especially have begun to be widely used in this field. Fourier transform infrared spectrometry, SEM (scanning electron microscopy), EDS (energy-dispersive X-ray analysis), and TGA (thermogravimetric analysis) were performed. Adsorption was performed in batch-adsorption experiments. Optimization processes involved pH, amounts of the sorbent and Safranin O, adsorption kinetics, desorption, and reusability. To highlight the mechanism of the interaction between Safranin O and S. porticalis and to predict the power and nature interactions, density functional theory computations were performed. Optimization processes included pH, amounts of sorbent and Safranin O, adsorption kinetics, desorption, and reusability. Experimental results were re-evaluated using Langmuir and Freundlich isotherm models and the biosorption process followed Freundlich isotherm kinetics. The biosorption mechanism was understood by pseudo-first-order (PFO), intraparticle diffusion (IPD), and Elovich models. Adsorption was determined to follow PFO kinetics: physical, endothermic, and spontaneous. The highest recovery was obtained in NaOH. Density functional theory (DFT) finding calculations were also performed to prove the high adsorption capacity for Safranin O of the material used.
Sorption of zinc chloride complexes from acid-based solutions by using anionic resins: process optimization and modelling
Authors: Barlık N.
Published: July 2024

The sorption of zinc chloride ions from hydrochloric acid-based solutions using anionic resins was investigated. A two-stage experiment was planned. In the first stage, parameter optimization was performed using the Taguchi experimental optimization approach for type of anionic resins, initial Zn (II) ion concentration, resin dose, agitation rate, and temperature and time of the process as process parameters. According to the signal—to—noise ratio values calculated with the larger better-quality feature; the optimum parameter levels were determined as chloride form resin, 10 g/L, 1200 mg/L, 200 rpm and 35 °C and 90 min, respectively. Under optimum operating conditions, the sorption capacity of the resin for zinc chloride complex ions was 46.52 mg/g. The energy dispersive X-Ray analyses confirmed that zinc chloride complexes bind to the resin’s surfaces. In the second step, equilibrium and kinetic tests were performed under the optimum parameters. The tests results were compared with six equilibrium isotherm models with 2 or more parameters and four kinetic models. The non-linear solution approach was applied for all models. Langmuir isotherm and the general order models were the best fit. The values of $${K}_{L}$$

K
L

and $${q}_{m,L}$$

q

m
,
L

for the Langmuir model were 2.15*10–3 L/g and 66.08 mg/g, respectively. The kinetic model can be given by an equation of order 3.26. Accordingly, $${k}_{n}$$

k
n

and $${q}_{e,n}$$

q

e
,
n

were 2.18*10–5 min/(g mg)2.26 and 60.03 mg/g, respectively. The process mechanism was a typical chemical sorption. According to the results of desorption tests conducted using 1 M HCl, the desorption efficiency was 65%.
Oral health and related outcomes in children and adolescents with cystic fibrosis: a scoping review
Authors: Chin D. , Ramalingam L. , Harrison J. , Silva M.
Published: July 2024

Purpose

Good oral health is important for children and adolescents with cystic fibrosis (CF). The purpose of this scoping review is to describe the existing evidence base regarding oral health in children and adolescents with CF and provide recommendations for future research.

Methods

Using a scoping review framework, a comprehensive search was undertaken using medline, embase, and PubMed. The search strategy included broad terms relating to CF, oral health, and children and adolescents and included only papers written in English.

Results

61 articles were included. Topics investigated included dental caries, enamel defects, periodontal health, dental staining, oral health related quality of life, dental management, and dental development of children and adolescents with CF.

Conclusion

Dental outcomes of children and adolescents with CF differ from the healthy population. The current literature describing dental health in children and adolescents with CF includes predominately descriptive analyses. A shift to hypothesis-based studies to explore causal relationships that explain the differences in dental outcomes seen in the CF population offers an opportunity to better understand the problems faced by children and adolescents with CF. Research that actively engages stakeholders, including children and adolescents with CF and their families will enable evidence-based recommendations to improve their oral health.
Budesonide in Liver Immunology: A Therapeutic Opportunity in Liver Transplantation
Authors: Liu Dorothy , Bonwick William M. W. , Sumithran Priya , Grace Josephine A. , Sinclair Marie
Published: July 2024

Purpose of Review

A major remaining challenge in liver transplantation is achieving the balance between adequate immunosuppression to prevent allograft rejection and minimising immunosuppression-related side effects. Systemic corticosteroids contribute to the development of multi-system adverse effects that increase recipient morbidity and mortality. Oral budesonide undergoes significant first-pass hepatic metabolism, thereby minimising systemic availability, but maintains a similar immunosuppressive impact on the liver and gastrointestinal tract as systemic corticosteroids. This review aims to explore the rationale for oral budesonide as an alternative immunosuppressant to conventional corticosteroids following liver transplantation.

Recent findings

Despite increasing evidence of efficacy and safety in other gastrointestinal conditions, research on the role of budesonide as an alternative immunosuppressant to conventional corticosteroids in the liver transplant setting remains scarce. However, existing literature suggests efficacy in the treatment and prevention of acute rejection after liver transplantation, with minimal toxicity.

The unique pharmacokinetic profile of oral budesonide may address the unmet need for a medical therapy that has efficacy but with a better safety profile compared to conventional corticosteroids in the liver transplant setting.
Distributive justice and value trade-offs in antibiotic use in aged care settings
Authors: Williams Jane , Chawraingern Sittichoke , Degeling Chris
Published: July 2024

Residential aged care facilities (RACF) are sites of high antibiotic use in Australia. Misuse of antimicrobial drugs in RACF contributes to antimicrobial resistance (AMR) burdens that accrue to individuals and the wider public, now and in the future. Antimicrobial stewardship (AMS) practices in RACF, e.g. requiring conformation of infection, are designed to minimise inappropriate use of antibiotics. We conducted dialogue groups with 46 participants with a parent receiving aged care to better understand families’ perspectives on antibiotics and care in RACF. Participants grappled with value trade offs in thinking about their own parents’ care, juggling imagined population and future harms with known short term comfort of individuals and prioritising the latter. Distributive justice in AMR relies on collective moral responsibility and action for the benefit of future generations and unknown others. In RACF, AMS requires value trade-offs and compromise on antimicrobial use in an environment that is heavily reliant on antimicrobial drugs to perform caring functions. In the context of aged care, AMS is a technical solution to a deeply relational and socio-structural problem and there is a risk that carers (workers, families) are morally burdened by system failures that are not addressed in AMS solutions.
Experimental study on the influence of roadway shape on the evolution of outburst fluid static pressure
Authors: Xu Jiang , Wang Xiaomei , Cheng Liang , Peng Shoujian , Yang Hailin , Zhou Bin , Jiao Feng
Published: July 2024

To explore the static pressure dynamic disaster mechanism of coal-and-gas outburst (CGO) fluid, the self-developed multi-field coupling large-scale physical simulation test system of coal mine dynamic disaster was used to carry out gas outburst and CGO physical simulation tests in straight, L-shaped and T-shaped roadways. The influence of roadway shape on the evolution of static pressure was explored, and the role of pulverized coal in the process of static pressure dynamic disaster was clarified. The results indicated that the static pressure showed a fluctuating downward trend during the outburst process. When gas outburst, the middle and front parts of the roadway in the straight section roadway were the most serious areas of static pressure disasters in the three shapes of roadways. The duration and range of high static pressure disaster in L-shaped roadway were larger than those in T-shaped and straight roadways in turn. When CGO, the most serious area of static pressure disaster in L-shaped and T-shaped roadways moved backward to the middle of the straight section roadway, and there was a rebound phenomenon in the process of static pressure fluctuation decline, which showed the pulse characteristics of CGO. During the outburst, the static pressure dynamic disaster hazard of L-shaped roadway was higher than that of T-shaped roadway, and the static pressure at the bifurcation structure decayed faster than that at the turning structure, which indicated that T-shaped roadway was more conducive to the release of static pressure in roadway, thus reduced the risk of static pressure disaster. When gas outburst, the static pressure attenuation of the fluid in the roadway before and after the turning and bifurcation structure was greater than that of CGO. The peak static pressure and impulse of the fluid during gas outburst were 2 times and 4–5 times that of CGO respectively. The presence of pulverized coal reduced the attenuation of static pressure and the hazard of dynamic disaster, prolonged the release time of energy, and led to the change of the maximum static pressure disaster area.
Solar-Driven Sustainability: III–V Semiconductor for Green Energy Production Technologies
Authors: Chandran Bagavath , Oh Jeong-Kyun , Lee Sang-Wook , Um Dae-Young , Kim Sung-Un , Veeramuthu Vignesh , Park Jin-Seo , Han Shuo , Lee Cheul-Ro , Ra Yong-Ho
Published: July 2024

Long-term societal prosperity depends on addressing the world’s energy and environmental problems, and photocatalysis has emerged as a viable remedy. Improving the efficiency of photocatalytic processes is fundamentally achieved by optimizing the effective utilization of solar energy and enhancing the efficient separation of photogenerated charges. It has been demonstrated that the fabrication of III–V semiconductor-based photocatalysts is effective in increasing solar light absorption, long-term stability, large-scale production and promoting charge transfer. This focused review explores on the current developments in III–V semiconductor materials for solar-powered photocatalytic systems. The review explores on various subjects, including the advancement of III–V semiconductors, photocatalytic mechanisms, and their uses in H2 conversion, CO2 reduction, environmental remediation, and photocatalytic oxidation and reduction reactions. In order to design heterostructures, the review delves into basic concepts including solar light absorption and effective charge separation. It also highlights significant advancements in green energy systems for water splitting, emphasizing the significance of establishing eco-friendly systems for CO2 reduction and hydrogen production. The main purpose is to produce hydrogen through sustainable and ecologically friendly energy conversion. The review intends to foster the development of greener and more sustainable energy source by encouraging researchers and developers to focus on practical applications and advancements in solar-powered photocatalysis.
Menstrual variations of sleep–wake rhythms in healthy women
Authors: Namie Tomoko , Kotaka Tsugumi , Watanabe Kazuto , Takasu Nana N. , Nakamura Wataru , Nakamura Takahiro J.
Published: July 2024

The ovarian steroid hormones, estrogen and progesterone, the levels of which fluctuate dynamically with the estrous cycle, alter circadian behavioral rhythms in mammals. However, it remains unclear whether the sleep–wake rhythm fluctuates with the menstrual cycle in humans. To ascertain the relationship between the menstrual cycle and sleep–wake rhythms, we evaluated the objective and long-term sleep–wake rhythms of ten healthy women using a recently developed wearable device. The results showed a strong negative correlation between the sleep midpoint and the quasi-peak value (an indicator of rhythm robustness), and a positive correlation between the length of the menstrual cycle (days) and social jetlag (hours). These results suggest that healthy women with late sleeping habits have a disturbed sleep–wake rhythm and that irregular habits prolong the menstrual cycle. The sleep midpoint and quasi-peak values showed variations during the menstrual cycle. The quasi-peak values in the follicular phase were significantly higher than those in the menstrual and luteal phases. In rodents, the phase of locomotor activity rhythm advances, and activity increases at night during proestrus. The increase in quasi-peak values during the follicular phase, when estrogen is relatively high, may be due to the increased activity caused by estrogen. These results suggest that ovarian steroid hormones influence sleep–wake rhythms in women. Verifying the results of this study under various conditions is necessary; however, accurately predicting the day of ovulation using only the acquisition of sleep–wake rhythms with wearable devices will be possible.
Intelligent smelting process, management system: Efficient and intelligent management strategy by incorporating large language model
Authors: Fu Tianjie , Liu Shimin , Li Peiyu
Published: July 2024

In the steelmaking industry, enhancing production cost-effectiveness and operational efficiency requires the integration of intelligent systems to support production activities. Thus, effectively integrating various production modules is crucial to enable collaborative operations throughout the entire production chain, reducing management costs and complexities. This paper proposes, for the first time, the integration of Vision-Language Model (VLM) and Large Language Model (LLM) technologies in the steel manufacturing domain, creating a novel steelmaking process management system. The system facilitates data collection, analysis, visualization, and intelligent dialogue for the steelmaking process. The VLM module provides textual descriptions for slab defect detection, while LLM technology supports the analysis of production data and intelligent question-answering. The feasibility, superiority, and effectiveness of the system are demonstrated through production data and comparative experiments. The system has significantly lowered costs and enhanced operational understanding, marking a critical step toward intelligent and cost-effective management in the steelmaking domain.
A Multi-strategy Improved Grasshopper Optimization Algorithm for Solving Global Optimization and Engineering Problems
Authors: Liu Wei , Yan Wenlv , Li Tong , Han Guangyu , Ren Tengteng
Published: July 2024

This paper presents a multi-strategy improved grasshopper optimization algorithm (MSIGOA), which aims to address the shortcomings of the grasshopper optimization algorithm (GOA), including its slow convergence, vulnerability to trapping into local optima, and low accuracy. Firstly, to improve the uniformity of the population distribution in the search space, the MSIGOA uses circle mapping for the population initialization. A nonlinear decreasing coefficient is utilized instead of an original linear decreasing coefficient to improve the local exploitation and global exploration capabilities. Then, the modified golden sine mechanism is added during the position update stage to change the single position update mode of GOA and enhance the local exploitation capability. The greedy strategy is added to greedily select the new and old positions of the individual to retain a better position and increase the speed of convergence. Finally, the quasi-reflection-based learning mechanism is utilized to construct new populations to improve population multiplicity and the capability to escape from the local optima. This paper verifies the efficacy of MSIGOA by comparing it with other advanced algorithms on six engineering design problems, CEC2017 test functions, and 12 classical benchmark functions. The experimental results show that MSIGOA performs better than the original GOA and other compared algorithms and has stronger comprehensive optimization capabilities.
Impact of actuation and sensor measurement delays on stability of real-time hybrid aeroelastic simulation system
Authors: Su W. , Song W.
Published: July 2024

This paper is focused on the stability of real-time hybrid aeroelastic simulation systems for flexible wings. In a hybrid aeroelastic simulation, a coupled aeroelastic system is ‘broken down’ into an aerodynamic simulation subsystem and a structural vibration testing subsystem. The coupling between structural dynamics and aerodynamics is achieved by real-time communication between the two subsystems. Real-time hybrid aeroelastic simulations can address the limitations associated with conventional aeroelastic testing performed within a wind tunnel or with pure computational aeroelastic simulation. However, as the coupling between structural dynamics and aerodynamics is completed through the real-time actuation and sensor measurement, their delays may inherently impact the performance of hybrid simulation system and subsequently alter the measured aeroelastic stability characteristics of the flexible wings. This study aims to quantify the impact of actuation and sensor measurement delays on the measured aeroelastic stability, e.g. the flutter boundary, of flexible wings during real-time hybrid simulations, especially when different aerodynamic models are implemented.
The Efficacy of Roman Silver in Iron Age Scotland: An Object Trajectory for Spiral Rings
Authors: Martin Jenna
Published: July 2024

This paper uses material efficacy as an analytical position to consider how silver helped to shape large-scale historical trajectories in Iron Age Scotland. Roman silver entered Scotland as imperial matter beginning in the first century ad and later inspired an assemblage of indigenous wearable silver in the fourth–fifth centuries. I investigate the human–silver collaborations involved in the transition from hoarding Roman silver coins to recycling Roman Hacksilber. By tracing the object trajectory of spiral rings, I show how silver's material properties and entanglements played a role in developing Scotland's earliest silver products. Around the fourth century, a diversity of spiral rings was replaced by a specific style of silver spiral finger ring. Silver brought to Iron Age Scotland by the Romans inspired and afforded individuals in northern Britain a new and empowering regional socio-political identity. Material efficacy, as explored in this case study, has relevance beyond Iron Age/Roman studies to any anthropological investigation of underrepresented human agency.
Transport Pathways for Iron Supply to the Australian Antarctic Ridge Phytoplankton Bloom
Authors: Vanegas Ledesma A. , Thomas L. N.
Published: July 2024

Biological productivity in the Southern Ocean is modulated by iron availability. Every summer, a large phytoplankton bloom forms northwest of the Ross Sea, above the Antarctic Australian Ridge (AAR), due to a plume of iron‐rich waters. Here, we investigate the origin and trajectories of these iron‐rich waters by analyzing water mass observations and Lagrangian experiments. Output from the Southern Ocean State Estimate (SOSE) and in situ measurements reveal that iron‐rich AAR bloom waters share properties with Modified Circumpolar Deep Water (MCDW), which forms on the Antarctic shelf‐slope. The Lagrangian experiments are conducted using SOSE velocities. Bloom waters tracked with virtual Lagrangian particles highlight an along isopycnal pathway of MCDW from Antarctica's shelf‐slope to the AAR bloom site, illustrating advection of these waters by the Balleny Gyre. These results are supported by temperature‐salinity analyses, which show a correlation between waters advected northwards; MCDW properties; and high iron concentrations.
Experimental Studies Reveal Bacteriophages Can Affect Precipitation of Mineral Phases
Authors: Działak Paweł , Borkowski Andrzej , Błachowski Artur , Bajda Tomasz , Kornaus Kamil , Zych Łukasz , Słowakiewicz Mirosław
Published: July 2024

Interesting properties and abundance of bacteriophages suggest their potential effect on precipitation of various minerals. Here we present an experimental study regarding the influence of two different bacteriophages (Escherichia phage P1 and Pseudomonas phage Φ6) on mineral precipitation. A wide range of instrumental techniques was implemented: epifluorescence microscopy (binding of phages to mineral particles); laser diffraction (size distribution); X‐ray powder diffraction (mineral phases composition); 57Fe Mössbauer spectroscopy (for better characterization of iron‐bearing mineral phases); and transmission electron microscopy coupled with microcrystal‐electron diffraction (for characterization of mineral particles precipitated with bacteriophages). We showed that bacteriophages can affect mineral precipitation, especially for carbonate and iron‐bearing mineral phases. Bacteriophages can increase or reduce the average size of particles or agglomerates of particles depending on the type of mineral phase. It was clearly visible for carbonates, phosphates, and Fe‐oxides. Importantly, changes in mineral composition of the studied mineral phases were also noted. It is therefore assumed that bacteriophages may have industrial but also environmental implications on precipitation of minerals.
Incorporation of Multi‐Elements Into Diatom Frustules in the Scotia Sea, Antarctica, Since the Last Glacial Maximum
Authors: Kim Sunghan , Kim Bo Kyung , Yoo Kyu‐Cheul , Lee Min Kyung , Lee Jae Il , Kim Sookwan , Bak Young‐Suk
Published: July 2024

The glacial‐interglacial cycle of elements and the linkage with biological production is very important. Nonetheless, records on incorporation of elements into diatom frustules are very poor in the Southern Ocean where diatom productivity is very high. As a result, there is a big gap in our understanding of elemental cycles in association with biological production and the controlling mechanisms. Here, we documented concentrations of major, trace, and rare earth elements of diatom frustules in two cores collected from the Southern Ocean since the Last Glacial Maximum to understand changes of incorporation of these elements into diatom frustules and to investigate mechanisms for changing incorporation. We found that there are three types of glacial‐interglacial variation patterns. Most elements showed increased (decreased) concentrations during the glacial period (interglacial) with decreased (increased) diatom production in the surface water following the variation pattern of magnetic susceptibility, whereas P, Ge, and Sb showed the opposite trend following the variation pattern of biogenic opal. Li, Ni, Ag, W, U, and I showed no clear glacial‐interglacial variation pattern. These different variation patterns imply that elemental incorporation into diatom frustules are also different according to elements. Our results revealed that biologically mediated removal of most elements from surface water to deep‐sea is comparable between glacial (low diatom production with high elements assimilation) and interglacial (high diatom production with low elements assimilation) periods in the Southern Ocean. However, more removal of P, Sb, and Ge in the surface water by diatoms occurs during interglacial periods in the Southern Ocean.
New 2D to 3D Reconstruction of Heterogeneous Porous Media via Deep Generative Adversarial Networks (GANs)
Authors: Amiri Hamed , Vogel Hannah , Plümper Oliver
Published: July 2024

Accurately characterizing rock microstructures in three dimensions (3D) is crucial for modeling various physical phenomena and estimating rock properties. Despite advancements in 3D imaging, limitations arise from the trade‐off between sample size and resolution, particularly in heterogeneous rocks with multi‐scale features where both high resolution and a large field of view are essential. These challenges have prompted interest in accurate 3D reconstructions from high‐resolution two‐dimensional (2D) images using advanced generative models like generative adversarial networks (GANs). In this study, using scanning electron microscopy and optical microscopy, we acquired 2D images from three orthogonal sections of a Berea sandstone sample. These images were employed to train a modified SliceGAN model, a variant of GANs, for 3D reconstruction. Unlike previous studies utilizing methods for 2D to 3D reconstructions that typically incorporated 3D images in their training, our approach relies exclusively on 2D images. We propose a systematic workflow which enables us to produce 3D reconstructions that closely mirror the original 2D inputs and a 3D X‐ray tomography in terms of structural and morphological characteristics. Additionally, we highlight the importance of input data size and training our model with representative images which enable us to generate diverse reconstructions with transport properties that align with previous studies on Berea sandstone. This underscores the potential of 2D to 3D reconstructions as an effective alternative to multiple X‐ray tomographies, integral for assessing variability in heterogeneous rocks.
DATACORTECH: artificial intelligence platform for the virtual screen of aluminum corrosion inhibitors
Authors: Galvão Tiago L. P. , Ferreira Inês , Maia Frederico , Gomes José R. B. , Tedim João
Published: July 2024

The machine learning framework reported herein can greatly accelerate the development of more effective and sustainable corrosion inhibitors for aluminum alloys, which still rely mostly on the experience of corrosion scientists, and trial and error laboratory testing. It can be used to design inhibitors for specific applications, which can be immobilized into nanocontainers or included directly into coatings in the search for less hazardous corrosion protective technologies. Therefore, a machine learning (ML) classification model that allows to identify promising compounds ( > 70% inhibitor efficiency) among less promising ones, and an online application (https://datacor.shinyapps.io/datacortech/) were developed for the virtual screen (simulation) of potential inhibitors for aluminum alloys, capable of considering the molecular structure and the influence of pH as an input.
Observation of the sliding phason mode of the incommensurate magnetic texture in Fe/Ir(111)
Authors: Yang Hung-Hsiang , Desplat Louise , Kravchuk Volodymyr P. , Hervé Marie , Balashov Timofey , Gerber Simon , Garst Markus , Dupé Bertrand , Wulfhekel Wulf
Published: July 2024

The nanoscopic magnetic texture forming in a monolayer of iron on the (111) surface of iridium, Fe/Ir(111), is spatially modulated and uniaxially incommensurate with respect to the crystallographic periodicities. As a consequence, a low-energy magnetic excitation is expected that corresponds to the sliding of the texture along the incommensurate direction, i.e., a phason mode, which we explicitly confirm with atomistic spin simulations. Using scanning tunneling microscopy (STM), we succeed to observe this phason mode experimentally. It can be excited by the STM tip, which leads to a random telegraph noise in the tunneling current that we attribute to the presence of two minima in the phason potential due to the presence of disorder in our sample. This provides the prospect of a floating phase in cleaner samples and, potentially, a commensurate-incommensurate transition as a function of external control parameters.
A roadmap for ribosome assembly in human mitochondria
Authors: Lavdovskaia Elena , Hanitsch Elisa , Linden Andreas , Pašen Martin , Challa Venkatapathi , Horokhovskyi Yehor , Roetschke Hanna P. , Nadler Franziska , Welp Luisa , Steube Emely , Heinrichs Marleen , Mai Mandy Mong-Quyen , Urlaub Henning , Liepe Juliane , Richter-Dennerlein Ricarda
Published: July 2024

Mitochondria contain dedicated ribosomes (mitoribosomes), which synthesize the mitochondrial-encoded core components of the oxidative phosphorylation complexes. The RNA and protein components of mitoribosomes are encoded on two different genomes (mitochondrial and nuclear) and are assembled into functional complexes with the help of dedicated factors inside the organelle. Defects in mitoribosome biogenesis are associated with severe human diseases, yet the molecular pathway of mitoribosome assembly remains poorly understood. Here, we applied a multidisciplinary approach combining biochemical isolation and analysis of native mitoribosomal assembly complexes with quantitative mass spectrometry and mathematical modeling to reconstitute the entire assembly pathway of the human mitoribosome. We show that, in contrast to its bacterial and cytosolic counterparts, human mitoribosome biogenesis involves the formation of ribosomal protein-only modules, which then assemble on the appropriate ribosomal RNA moiety in a coordinated fashion. The presence of excess protein-only modules primed for assembly rationalizes how mitochondria cope with the challenge of forming a protein-rich ribonucleoprotein complex of dual genetic origin. This study provides a comprehensive roadmap of mitoribosome biogenesis, from very early to late maturation steps, and highlights the evolutionary divergence from its bacterial ancestor.
Mapping of 10-km daily diffuse solar radiation across China from reanalysis data and a Machine-Learning method
Authors: Qi Qinghai , Wu Jinyang , Gueymard Christran A. , Qin Wenmin , Wang Lunche , Zhou Zhigao , Niu Jiayun , Zhang Ming
Published: July 2024

Diffuse solar radiation (DSR) plays a critical role in renewable energy utilization and efficient agricultural production. However, there is a scarcity of high-precision, long-term, and spatially continuous datasets for DSR in the world, and particularly in China. To address this gap, a 41-year (1982–2022) daily diffuse solar radiation dataset (CHDSR) is constructed with a spatial resolution of 10 km, based on a new ensemble model that combines the clear-sky irradiance estimated by the REST2 model and a machine-learning technique using precise cloud information derived from reanalysis data. Validation against ground-based measurements indicates strong performance of the new hybrid model, with a correlation coefficient, root mean square error and mean bias error (MBE) of 0.94, 13.9 W m−2 and −0.49 W m−2, respectively. The CHDSR dataset shows good spatial and temporal continuity over the time horizon from 1982 to 2022, with a multi-year mean value of 74.51 W m−2. This dataset is now freely available on figshare to the potential benefit of any analytical work in solar energy, agriculture, climate change, etc (https://doi.org/10.6084/m9.figshare.21763223.v3).
Molecular dynamics simulations reveal differences in the conformational stability of FtsZs derived from Staphylococcus aureus and Bacillus subtilis
Authors: Takasawa Taichi , Matsui Takashi , Watanabe Go , Kodera Yoshio
Published: July 2024

FtsZ is highly conserved among bacteria and plays an essential role in bacterial cell division. The tense conformation of FtsZ bound to GTP assembles into a straight filament via head-to-tail associations, and then the upper subunit of FtsZ hydrolyzes GTP bound to the lower FtsZ subunit. The subunit with GDP bound disassembles accompanied by a conformational change in the subunit from the tense to relaxed conformation. Although crystal structures of FtsZ derived from several bacterial species have been determined, the conformational change from the relaxed to tense conformation has only been observed in Staphylococcus aureus FtsZ (SaFtsZ). Recent cryo-electron microscopy analyses revealed the three-dimensional reconstruction of the protofilament, in which tense molecules assemble via head-to-tail associations. However, the lower resolution of the protofilament suggested that the flexibility of the FtsZ protomers between the relaxed and tense conformations caused them to form in less-strict alignments. Furthermore, this flexibility may also prevent FtsZs other than SaFtsZ from crystalizing in the tense conformation, suggesting that the flexibility of bacterial FtsZs differs. In this study, molecular dynamics simulations were performed using SaFtsZ and Bacillus subtilis FtsZ in several situations, which suggested that different features of the FtsZs affect their conformational stability.
Curcumin synergistically enhances the efficacy of gemcitabine against gemcitabine-resistant cholangiocarcinoma via the targeting LAT2/glutamine pathway
Authors: Thongpon Phonpilas , Intuyod Kitti , Chomwong Sasitorn , Pongking Thatsanapong , Klungsaeng Sirinapha , Muisuk Kanha , Charoenram Naruechar , Sitthirach Chutima , Thanan Raynoo , Pinlaor Porntip , Pinlaor Somchai
Published: July 2024

Cholangiocarcinoma (CCA) is often diagnosed late, leading to incomplete tumor removal, drug resistance and reduced chemotherapy efficacy. Curcumin has the potential for anti-cancer activity through various therapeutic properties and can improve the efficacy of chemotherapy. We aimed to investigate the synergistic effect of a combination of curcumin and gemcitabine against CCA, targeting the LAT2/glutamine pathway. This combination synergistically suppressed proliferation in gemcitabine-resistant CCA cells (KKU-213BGemR). It also resulted in a remarkable degree of CCA cell apoptosis and cell cycle arrest, characterized by a high proportion of cells in the S and G2/M phases. Knockdown ofSLC7A8decreased the expressions of glutaminase and glutamine synthetase, resulting in inhibited cell proliferation and sensitized CCA cells to gemcitabine treatment. Moreover, in vivo experiments showed that a combination curcumin and gemcitabine significantly reduced tumor size, tumor growth rate and LAT2 expression in a gemcitabine-resistant CCA xenograft mouse model. Suppression of tumor progression in an orthotopic CCA hamster model provided strong support for clinical application. In conclusion, curcumin synergistically enhances gemcitabine efficacy against gemcitabine-resistant CCA by induction of apoptosis, partly via inhibiting LAT2/glutamine pathway. This approach may be an alternative strategy for the treatment of gemcitabine-resistant in CCA patients.
Zinc finger transcription factor ZFP1 is associated with growth, conidiation, osmoregulation, and virulence in the Polygonatum kingianum pathogen Fusarium oxysporum
Authors: Su Jianyun , Wang Jingyi , Tang Jingying , Yu Weimei , Liu Jiajia , Dong Xian , Dong Jiahong , Chai Xia , Ji Pengzhang , Zhang Lei
Published: July 2024

Rhizome rot is a destructive soil-borne disease of Polygonatum kingianum and adversely affects the yield and sustenance of the plant. Understanding how the causal fungus Fusarium oxysporum infects P. kingianum may suggest effective control measures against rhizome rot. In germinating conidia of infectious F. oxysporum, expression of the zinc finger transcription factor gene Zfp1, consisting of two C2H2 motifs, was up-regulated. To characterize the critical role of ZFP1, we generated independent deletion mutants (zfp1) and complemented one mutant with a transgenic copy of ZFP1 (zfp1 tZFP1). Mycelial growth and conidial production of zfp1 were slower than those of wild type (ZFP1) and zfp1 tZFP1. Additionally, a reduced inhibition of growth suggested zfp1 was less sensitive to conditions promoting cell wall and osmotic stresses than ZFP1 and zfp1 tZFP1. Furthermore pathogenicity tests suggested a critical role for growth of zfp1 in infected leaves and rhizomes of P. kingianum. Thus ZFP1 is important for mycelial growth, conidiation, osmoregulation, and pathogenicity in P. kingianum.
Drivers of future extratropical sea surface temperature variability changes in the North Pacific
Authors: Gunnarson Jacob L. , Stuecker Malte F. , Zhao Sen
Published: July 2024

Under anthropogenic warming, future changes to climate variability beyond specific modes such as the El Niño-Southern Oscillation (ENSO) have not been well-characterized. In the Community Earth System Model version 2 Large Ensemble (CESM2-LE) climate model, the future change to sea surface temperature (SST) variability (and correspondingly marine heatwave intensity) on monthly timescales and longer is spatially heterogeneous. We examined these projected changes (between 1960–2000 and 2060–2100) in the North Pacific using a local linear stochastic-deterministic model, which allowed us to quantify the effect of changes to three drivers on SST variability: ocean “memory” (the SST damping timescale), ENSO teleconnections, and stochastic noise forcing. The ocean memory declines in most areas, but lengthens in the central North Pacific. This change is primarily due to changes in air-sea feedbacks and ocean damping, with the shallowing mixed layer depth playing a secondary role. An eastward shift of the ENSO teleconnection pattern is primarily responsible for the pattern of SST variance change.
Plant roots affect free-living diazotroph communities in temperate grassland soils despite decades of fertilization
Authors: Dietrich Marlies , Panhölzl Christopher , Angel Roey , Giguere Andrew T. , Randi Dania , Hausmann Bela , Herbold Craig W. , Pötsch Erich M. , Schaumberger Andreas , Eichorst Stephanie A. , Woebken Dagmar
Published: July 2024

Fixation of atmospheric N2 by free-living diazotrophs accounts for an important proportion of nitrogen naturally introduced to temperate grasslands. The effect of plants or fertilization on the general microbial community has been extensively studied, yet an understanding of the potential combinatorial effects on the community structure and activity of free-living diazotrophs is lacking. In this study we provide a multilevel assessment of the single and interactive effects of different long-term fertilization treatments, plant species and vicinity to roots on the free-living diazotroph community in relation to the general microbial community in grassland soils. We sequenced the dinitrogenase reductase (nifH) and the 16S rRNA genes of bulk soil and root-associated compartments (rhizosphere soil, rhizoplane and root) of two grass species (Arrhenatherum elatius and Anthoxanthum odoratum) and two herb species (Galium album and Plantago lanceolata) growing in Austrian grassland soils treated with different fertilizers (N, P, NPK) since 1960. Overall, fertilization has the strongest effect on the diazotroph and general microbial community structure, however with vicinity to the root, the plant effect increases. Despite the long-term fertilization, plants strongly influence the diazotroph communities emphasizing the complexity of soil microbial communities’ responses to changing nutrient conditions in temperate grasslands.
Janus droplet microreactors for preparing polyaniline/AgCl nanocomposites
Authors: Wang Hao , Wang Shiteng , Mu Yao , Cheng Yi
Published: July 2024

Aqueous-ionic liquid Janus droplets were developed as novel bi-phasic microreactors for the one-step synthesis of polyaniline/AgCl nanocomposites.
Modular access to sulfur substituted analogues of isocytosine via photoredox catalysis
Authors: Fayaz Faheem , Ganie Majid Ahmad , Kumar Sourav , Raheem Shabnam , Rizvi Masood Ahmad , Shah Bhahwal Ali
Published: July 2024

A photoredox approach for synthesizing sulfur-substituted analogues of isocytosine via coupling of modular phenyl propargyl chloride with thiourea has been reported.
Manipulation of 1D and 2D self-assembly via geometry modulation of adamantane isocyanide Pt(ii) complexes
Authors: Yang Fang , Li Heyang , Li Huijie , He Xiaoming
Published: July 2024

Two cationic luminescent cyclometalated Pt(ii) complexes incorporating two novel adamantane-based isocyanides as auxiliary ligands have been reported. Through geometry manipulation, 1D and 2D self-assembled architectures can be well controlled.
On the energetic and magnetic stability of potassium atomic clusters doped by yttrium
Authors: González-Ramírez Henry Nicole , Gómez-Sandoval Zeferino
Published: July 2024

This study utilizes density functional theory (DFT) calculations to explore the energetic and magnetic stability of neutral and charged potassium (K) clusters doped with yttrium (Y).
Photophysical and redox properties of new donor–acceptor–donor (DAD) compounds containing benzothiadiazole (A) and dimethyldihydroacridine (D) units: a combined experimental and theoretical study
Authors: Polesiak Emilia , Makowska-Janusik Malgorzata , Drapala Jakub , Zagorska Malgorzata , Banasiewicz Marzena , Kozankiewicz Boleslaw , Kulszewicz-Bajer Irena , Pron Adam
Published: July 2024

Donor–acceptor–donor compounds consisting of 9,9-dimethyl-9,10-dihydroacridine donors differently linked to a benzothiadiazole acceptor exhibited fluorescence in the orange–red spectral range.
Co-doping regulation on Ni-based electrocatalysts to adjust the selectivity of oxygen reduction reaction for Zn–air batteries and H2O2 production
Authors: Hu Songhan , Wang Kai , Xu Xinxin , Wang Qiang
Published: July 2024

Two Ni-based electrocatalysts with different ORR selectivity were synthesized from a NiMOF, which show promising prospects in Zn–air batteries and H2O2 production.
TlSn2F5, a SnF2-based solid electrolyte with high ionic conductivity and electrochemical stability for all-solid-state fluoride ion batteries
Authors: Ramakrushna Achary K. , Khatua Sumit , Kamala Bharathi K. , Patro L. N.
Published: July 2024

This study explores a mechanochemically synthesized SnF2-based solid electrolyte, TlSn2F5, revealing its high ionic conductivity and good electrochemical stability for applications in all-solid-state fluoride ion batteries.
Anti-corrosive electrolyte design for extending the calendar life of lithium metal batteries
Authors: Kim Minkwan , An Jiwoo , Shin Seung-Jae , Hwang Insu , Lee Jimin , Park Youngbin , Kim Jinyoung , Park Eunseok , Kim Jisub , Park Gyuleen , Kim Sujin , Coskun Ali , Choi Jang Wook
Published: July 2024

This study introduces a cutting-edge electrolyte formulation that mitigates Li metal corrosion, significantly extending the calendar life of LMBs. Based on the SEI swelling model, hydrocarbons kinetically block the highly corrosive F-diluent entry.
Tungsten single atoms incorporated in cobalt spinel oxide for highly efficient electrocatalytic oxygen evolution in acid
Authors: Cao Jing , Zhang Dezheng , Ren Bianqing , Song Ping , Xu Weilin
Published: July 2024

Individual tungsten (W) atoms incorporated into the spinel lattice of Co3O4 (W–Co3O4) can present remarkable OER activity and stability. The PEMWE with W–Co3O4 as an anode catalyst can be stably operated at 1 A cm−2 for 240 hours.
MOF-5 fortified fiber optic plasmonic absorption-based Pb(ii) ion sensor for rapid water quality monitoring
Authors: Menon Swetha , Dutta Sourav , Madaboosi Narayanan , Sai V. V. R.
Published: July 2024

A plasmonic absorption based chemical sensor (PACS) using metal–organic framework (MOF-5) receptors on the gold nanoparticle coated U-bent fiber optic probe for Pb(ii) sensing in water down to 0.5 ppb with a wide dynamic range and high selectivity.
Self-cycled photocatalytic Fenton system and rapid degradation of organic pollutants over magnetic 3D MnS nanosheet/iron–nickel foam
Authors: Ma Xiaoqian , Liu Yu , Zhao Yi , Chen Xiaohong , Leng Junyang , Zhang Anlong , Chen Daomei , Xiong Kai , Wang Jiaqiang
Published: July 2024

The self-cycled photocatalytic Fenton system rapidly degrades organic pollutants containing real wastewater.
How big is big data?
Authors: Speckhard Daniel , Bechtel Tim , Ghiringhelli Luca M. , Kuban Martin , Rigamonti Santiago , Draxl Claudia
Published: July 2024

The advent of larger datasets in materials science poses unique challenges in modeling, infrastructure, and data diversity and quality.