bluuebunny/crossref_metadata_2025 huggingface dataset:
Examining graph neural networks for crystal structures: Limitations and opportunities for capturing periodicity
Authors: Gong Sheng , Yan Keqiang , Xie Tian , Shao-Horn Yang , Gomez-Bombarelli Rafael , Ji Shuiwang , Grossman Jeffrey C.
Published: November 2023

Graph neural networks (GNNs) have recently been used to learn the representations of crystal structures through an end-to-end data-driven approach. However, a systematic top-down approach to evaluate and understand the limitations of GNNs in accurately capturing crystal structures has yet to be established. In this study, we introduce an approach using human-designed descriptors as a compendium of human knowledge to investigate the extent to which GNNs can comprehend crystal structures. Our findings reveal that current state-of-the-art GNNs fall short in accurately capturing the periodicity of crystal structures. We analyze this failure by exploring three aspects: local expressive power, long-range information processing, and readout function. To address these identified limitations, we propose a straightforward and general solution: the hybridization of descriptors with GNNs, which directly supplements the missing information to GNNs. The hybridization enhances the predictive accuracy of GNNs for specific material properties, most notably phonon internal energy and heat capacity, which heavily rely on the periodicity of materials.
Substantial light woodland and open vegetation characterized the temperate forest biome before
Homo sapiens
Authors: Pearce Elena A. , Mazier Florence , Normand Signe , Fyfe Ralph , Andrieu Valérie , Bakels Corrie , Balwierz Zofia , Bińka Krzysztof , Boreham Steve , Borisova Olga K. , Brostrom Anna , de Beaulieu Jacques-Louis , Gao Cunhai , González-Sampériz Penélope , Granoszewski Wojciech , Hrynowiecka Anna , Kołaczek Piotr , Kuneš Petr , Magri Donatella , Malkiewicz Małgorzata , Mighall Tim , Milner Alice M. , Möller Per , Nita Małgorzata , Noryśkiewicz Bożena , Pidek Irena Agnieszka , Reille Maurice , Robertsson Ann-Marie , Salonen J. Sakari , Schläfli Patrick , Schokker Jeroen , Scussolini Paolo , Šeirienė Vaida , Strahl Jaqueline , Urban Brigitte , Winter Hanna , Svenning Jens-Christian
Published: November 2023

The extent of vegetation openness in past European landscapes is widely debated. In particular, the temperate forest biome has traditionally been defined as dense, closed-canopy forest; however, some argue that large herbivores maintained greater openness or even wood-pasture conditions. Here, we address this question for the Last Interglacial period (129,000–116,000 years ago), before
Homo sapiens
–linked megafauna declines and anthropogenic landscape transformation. We applied the vegetation reconstruction method REVEALS to 96 Last Interglacial pollen records. We found that light woodland and open vegetation represented, on average, more than 50% cover during this period. The degree of openness was highly variable and only partially linked to climatic factors, indicating the importance of natural disturbance regimes. Our results show that the temperate forest biome was historically heterogeneous rather than uniformly dense, which is consistent with the dependency of much of contemporary European biodiversity on open vegetation and light woodland.
Transcriptomes and metabolism define mouse and human MAIT cell populations
Authors: Chandra Shilpi , Ascui Gabriel , Riffelmacher Thomas , Chawla Ashu , Ramírez-Suástegui Ciro , Castelan Viankail C. , Seumois Gregory , Simon Hayley , Murray Mallory P. , Seo Goo-Young , Premlal Ashmitaa L. R. , Schmiedel Benjamin , Verstichel Greet , Li Yingcong , Lin Chia-Hao , Greenbaum Jason , Lamberti John , Murthy Raghav , Nigro John , Cheroutre Hilde , Ottensmeier Christian H. , Hedrick Stephen M. , Lu Li-Fan , Vijayanand Pandurangan , Kronenberg Mitchell
Published: November 2023

Mucosal-associated invariant T (MAIT) cells are a subset of T lymphocytes that respond to microbial metabolites. We defined MAIT cell populations in different organs and characterized the developmental pathway of mouse and human MAIT cells in the thymus using single-cell RNA sequencing and phenotypic and metabolic analyses. We showed that the predominant mouse subset, which produced IL-17 (MAIT17), and the subset that produced IFN-γ (MAIT1) had not only greatly different transcriptomes but also different metabolic states. MAIT17 cells in different organs exhibited increased lipid uptake, lipid storage, and mitochondrial potential compared with MAIT1 cells. All these properties were similar in the thymus and likely acquired there. Human MAIT cells in lung and blood were more homogeneous but still differed between tissues. Human MAIT cells had increased fatty acid uptake and lipid storage in blood and lung, similar to human CD8 T resident memory cells, but unlike mouse MAIT17 cells, they lacked increased mitochondrial potential. Although mouse and human MAIT cell transcriptomes showed similarities for immature cells in the thymus, they diverged more strikingly in the periphery. Analysis of pet store mice demonstrated decreased lung MAIT17 cells in these so-called “dirty” mice, indicative of an environmental influence on MAIT cell subsets and function.
Formation of Trachytes from Wangtian’e Volcanic Neck of the Changbaishan Area (Northeast China) as a Result of Tholeiitic Magma Crystal Fractionation
Authors: Andreeva O. A. , Andreeva I. A. , Usoltseva A. I. , Yarmolyuk V. V. , Kovalchuk E. V. , Averin A. A. , Ji J.-Q. , Zhou X.
Published: November 2023

Tholeiitic basalts and trachytes of the bimodal association of Wangtian’e volcano are studied. It is shown that trachytes formed with the leading role of crystal fractionation of the parental tholeiitic magma. It has been identified from the melt inclusion study that hedenbergite and plagioclase phenocrysts of trachytes from Wangtian'e volcanic neck crystallized in the temperature range of 1080–1100 and 1050–1060°C, respectively. After heating experiments with melt inclusions in plagioclase of trachytes, in some cases relics of carbonates and CO2 were observed in the inclusions. The trachyte phenocrysts host water-bearing Fe-rich globules and CO2 inclusions with carbonate phases. The Fe-rich silicate globules are often intergrown with titanomagnetite and are covered by amorphous carbon films. A model is suggested explaining the formation of water-bearing Fe-rich globules and CO2 inclusions with carbonate relics as a result of silicate–silicate and silicate–carbonate liquid immiscibility, that was caused by the evolution of the parental basaltic melt. Upon the trachytic melt ascending to the surface, the ferrocarbonate liquid was decomposed on magnetite, carbon, and carbon dioxide.
The New Polytype Structures Pd8T3 (T = As, Sb)
Authors: Karimova O. V. , Mezhueva A. A. , Eremin N. N.
Published: November 2023

The polytypic structure of Pd8T3 (T = As, Sb) compounds was revealed using the graph method. The topology of the layers and the regular sequence of their alternation are analyzed. The ordering of antimony and arsenic atoms by the positions at the nodes of layer-networks and the positional disorder in the sequence of alternating layers, which lead to the formation of different structural polytypes, are considered.
Near-fatal and fatal asthma and air pollution: are we missing an opportunity to ask key questions?
Authors: Varghese Deepa , Clemens Tom , McMurray Ann , Pinnock Hilary , Grigg Jonathan , Cunningham Steve
Published: November 2023

There is an increasing body of evidence supporting the link between asthma attacks and air pollution in children. To our knowledge, there has only been one reported case of a fatal asthma attack in a child associated with air pollution and this was in the UK. This article considers why there is a lack of evidence on fatal/near-fatal asthma and air pollution. We also explore three challenges. First, fatal and near-fatal asthma events are rare and not yet well understood. Second, measuring and interpreting personal exposure to air pollution with sufficient temporal and spatial detail are challenging to interpret in the context of individual fatal or near-fatal asthma attacks. Third, current studies are not designed to answer the question of whether or to what extent air pollution is associated with fatal/near-fatal asthma attacks in children. Conclusive evidence is not yet available and systems of data collection for both air pollution and fatal and near-fatal asthma attacks should be enhanced to ensure risk can be determined and impact minimised.
How do tumours outside the gastrointestinal tract respond to dietary fibre supplementation?
Authors: Asim Fatima , Clarke Lowenna , Donnelly Elizabeth , Jamal Fouzia Rahana , Piccicacchi Lucrezia Maria , Qadir Mahanoor , Raja Nain Tara , Samadi Cyrus , Then Chee Kin , Kiltie Anne E
Published: November 2023

Cancer remains one of the leading causes of death worldwide, despite advances in treatments such as surgery, chemotherapy, radiotherapy and immunotherapy. The role of the gut microbiota in human health and disease, particularly in relation to cancer incidence and treatment response, has gained increasing attention. Emerging evidence suggests that dietary fibre, including prebiotics, can modulate the gut microbiota and influence antitumour effects. In this review, we provide an overview of how dietary fibre impacts the gut–tumour axis through immune and non-immune mechanisms. Preclinical evidence shows that β-glucan or inulin effectively suppress extraintestinal tumour growth via immunomodulation. Other fibres such as resistant starch, modified citrus pectin and rye bran may confer antitumour effects through metabolic regulation, production of metabolites or downregulation of the insulin/insulin-like growth factor 1 axis. Additionally, we highlight the potential for dietary fibre to modify the response to immunotherapy, chemotherapy and radiotherapy, as shown by inulin increasing the abundance of beneficial gut bacteria, such asBifidobacterium,Akkermansia,LactobacillusandFaecalibacterium prausnitzii, which have been associated with enhanced immunotherapy outcomes, particularly in melanoma-bearing mice. Furthermore, certain types of dietary fibre, such as psyllium, partially hydrolysed guar gum, hydrolysed rice bran and inulin plus fructooligosaccharide, have been shown to mitigate gastrointestinal toxicities in patients with cancer undergoing pelvic radiotherapy. Despite the proven benefits, it is noteworthy that most adults do not consume enough dietary fibre, underscoring the importance of promoting dietary fibre supplementation in patients with cancer to optimise their treatment responses.
Causal effects of point-of-sale cigarette promotions and subjective social status on cigarette craving: a randomised within-person experiment
Authors: Andrews Mary , Cooper Nicole , Mattan Bradley D , Carreras-Tartak José , Paul Alexandra M , Strasser Andrew A , Henriksen Lisa , Falk Emily B
Published: November 2023

Background

Cigarette smoking continues to be a leading cause of preventable deaths in the USA, in part because the USA has not adopted the WHO Framework Convention on Tobacco Control. One way the tobacco industry counteracts tobacco control policies is by heavily advertising cigarettes at the point of sale in retailers (eg, at the cash register) and by offering discounts on cigarettes.

Design

A within-subject experimental design with adults who smoke cigarettes daily (n=281) investigated whether: (1) exposure to images of cigarette promotions in an online experiment is associated with greater cigarette craving relative to viewing images of non-smoking cues, and (2) if exposure to images of point-of-sale cigarette promotions with a discount (vs without) increases cigarette craving. The study also examined how participants’ subjective social status (compared with others in the USA) relates to cigarette craving after exposure to images of cigarette promotions with and without a discount.

Results

In an online experiment, exposure to images of smoking cues, including point-of-sale cigarette promotions, elicited greater craving relative to non-smoking cues (all p<0.001). In addition, images of promotions with a discount elicited higher levels of craving compared with those without a discount (b=0.09, p=0.001). Although participants with a higher (vs lower) subjective social status craved cigarettes less overall (b=−0.12, p=0.012), there was no difference in their craving between images of promotions with and without a discount, while craving was higher for images of promotions with a discount than without for participants with higher subjective social status (b=0.06, p=0.021).

Conclusion

Viewing images of point-of-sale cigarette promotions can causally increase cravings to smoke, which may also apply to real-world retail settings that display cigarette promotions. Restricting point-of-sale promotions generally, and discounts specifically, could help reduce cigarette smoking and address tobacco use disparities in the USA.
Development and outcomes of a tailings slope stability comparative design exercise
Authors: Reid David , Fourie Andy
Published: November 2023

Tailings storage facilities (TSFs) have undergone an unacceptably high failure rate for decades, leading to an increased focus on improving the safety of these structures. One aspect that has not received sufficient attention is examining how reliably and consistently engineers analyse the stability of TSFs. An understanding of the current state of practice is needed as there are a range of analytical methods available to engineers, while the high failure rate of these structures strongly points to some deficiencies in practice. To examine some of these issues, a tailings-focussed slope stability comparative design exercise was organised to compare the methods and results used by tailings engineers to analyse the same slope within which the phreatic surface was to rise under a specified pattern. Twenty-eight practitioners participated in the exercise to predict at what phreatic surface level the slope would fail. A wide range of predictions were made, ranging from assuming the slope would liquefy and fail instantly (i.e. before any rise in phreatic surface) to a range of techniques based on (i) yield strength ratios, (ii) stress path methods, and (iii) numerical analyses, each predicting various failure levels, and finally some predictors who applied drained strengths, resulting in predictions that the slope would not fail.
Spatial and temporal patterns in the threats to at-risk freshwater fish species in Canada
Authors: M.L. McKelvey Veronica , Mandrak Nicholas E.
Published: November 2023

This study identifies the current spatial and temporal patterns of threats to at-risk freshwater fishes within Canada. Data for 65 at-risk freshwater fishes were collated from the Committee on the Status of Endangered Wildlife in Canada Assessment and Status reports with threat calculators. Using these data, the overall threat impact level and the threat impact of the 11 categories in the threat calculator were compared for all species and separately by conservation status, which indicates their risk of extinction. These threats were also compared temporally to a study completed in 2006 and spatially between National Freshwater Biogeographic Zones. The threats of invasive species and pollution had the highest impacts, accounting for 18.9% and 16.8% of the weighted impact on at-risk freshwater fishes, respectively. Since 2006, all threats have been increasing, except for natural disasters. The Great Lakes–Upper St. Lawrence River Biogeographic Zone had significantly more at-risk freshwater fishes and overall weighted threat impact than other zones, with pollution, invasive species, and natural system modification contributing the most to the imperilment in this region.
Diet flexibility in three harvester ants (Pogonomyrmex spp.): effects of grazing and natural variations in the availability of seeds
Authors: Miretti M.F. , Pol R.G. , Vullo L. , Cao A.L. , Marone L. , Lopez de Casenave J.
Published: November 2023

The study of diet and its relationship with available resources allows us to evaluate how species that differ in their degree of ecological flexibility respond to natural and anthropogenic variations that affect food availability. In the central Monte desert, extensive cattle ranching reduces the abundance of grass seeds, the most consumed and preferred food by the harvester ants Pogonomyrmex inermis Forel, 1914, Pogonomyrmex mendozanus (Cuezzo & Claver, 2009), and Pogonomyrmex propinqua (Johnson, 2021). We studied the diet of these species in grazed and ungrazed habitats over 4 years, including a period during which the abundance of grass seeds naturally decreased. We expected that ants would modify their diet in grazed sites and that the response would be different among species depending on their ecological flexibility. The three species presented a mainly granivorous diet in both grazing conditions and during the 4 years, but showed differences in the breadth of their diet. Pogonomyrmex inermis and Pogonomyrmex propinqua always had a narrow diet that consisted mainly of grass seeds, while Pogonomyrmex mendozanus modified its diet to include higher proportions of shrub seeds and other items when the abundance of grass seed decreased. In a scenario of scarce resources, this flexibility could represent an advantage over a more strict graminivorous diet.
Analytical investigation of MgO–CuO∖H2O, hybrid nanofluid MHD stagnation point flow with the influence of viscous dissipation for enhancement of heat transfer ratio
Authors: Rehman Ali , Alhefthi Reem K. , Inc Mustafa , Jan Rashid
Published: November 2023

In this research work, we will carry out analytical investigation of MgO–CuO∖H2O, hybrid nanofluid magnetohydrodynamics (MHD) stagnation point flow with the influence of viscous dissipation for enhancement of heat transfer ratio. The flow system takes into account the impact viscous dissipation and transport dependence on the shape factor. Furthermore, velocity and temperature at the stretching surface are also considered in this study. To convert a collection of PDEs to nonlinear ODEs, we applied appropriate transformations. We utilize the Homotopy analysis method (HAM) to solve this set of equations. A physical description is used to simulate and evaluate the structures of flow features such as velocity, skin friction, Nusselt number and temperature profiles in response to changes in developing factors, the effects of different factors on temperature and velocities are shown in the form of graphs. It is hoped that this theoretical approach would contribute positively to improve the heat transformation ratio to satisfy the demands of the manufacturing and engineering sectors.
Identifying the Most Significant Features for Stress Prediction of Automobile Drivers: A Comprehensive Study
Authors: Al-Nashashibi May Y. , El-Khalili Nuha , Hadi Wa’el , Al-Banna Abedal-Kareem , Issa Ghassan
Published: November 2023

Objective: This paper used three feature selection methods on a Jordanian automobile drivers’ dataset to identify the most significant features for stress prediction algorithm performance. The dataset contains “stress” and “no-stress” classes with 30 features, categorised into physiological and contextual subsets.

Methods: Eighteen classifiers from six prediction algorithm categories were evaluated: Rule-based, Tree-based, Ensemble-based, Function-based, Naïve Bayes-based and Lazy-based. Three Feature Subset Selection (FSS) methods were used: Gain Ratio, Chi-square and feature separation. Eight evaluation measures included [Formula: see text]1, Accuracy, Specificity, Sensitivity, Kappa Statistics, Mean Absolute Error (MAE), Area Under Curve (AUC) and Precision Recall Curve Area (PRCA).

Results: Among the classifiers, Lazy-based LocalKNN performed significantly well in [Formula: see text]1, Accuracy, Kappa and MAE. Naïve Bayes-based Bayesian Network excelled in other measures. The original dataset with all features yielded the best overall performance, followed by the physiological-only subset. Gain Ratio and Chi-square FSS methods also showed promising results, though not significant.

Conclusion: Four physiological (EMG, EMG Amplitude, Heart rate, Respiration Amplitude) and seven contextual (time range of driving, gender, age, driving skills, general accidents, last year’s accidents, stress frequency) features contributed to the best prediction outcomes. The study highlights the importance of proper feature selection and identifies optimal algorithms for specific measures.
A QUALITATIVE ANALYSIS OF THE VALUE CREATION OF URBAN LIVING LABS
Authors: ROBAEYST BEN , VAN HANSEWYCK NELL , BACCARNE BASTIAAN , SCHUURMAN DIMITRI
Published: November 2023

Over the past decade, Open Innovation (OI) literature has extended its scope beyond strictly economical contexts to the context of societal value creation. This has given rise to the notion of distributed knowledge as a driver for sustainable innovation development. Over the past 15 years, the concept of Urban Living Labs (ULLs) has gained popularity to put social OI into practice. Hence, this concept is often applied in urban environments to support transition processes that try to tackle so-called wicked problems. However, a fuzzy understanding of this ULL concept still exists, due to an unclear understanding of its value creation mechanics. Therefore, this paper aims to both conceptualise and gain a better understanding of how ULLs are instrumentalised and create value. This is studied from the perspective of “ecosystem stakeholders” that participate in ULL projects. These insights are obtained through a case study with a multimethod qualitative research approach. The main data sources are a series of 20 semi-structured key-informant interviews, four focus groups, and participatory observation. The results show that the value creation for the participating stakeholders can be summarised in two main clusters: (1) the ULL as a way to build and strengthen the capacities of participating stakeholders; and (2) the ULL as a way to facilitate purpose driven fulfilment in urban transition processes.
Attack as Detection: Using Adversarial Attack Methods to Detect Abnormal Examples
Authors: Zhao Zhe , Chen Guangke , Liu Tong , Li Taishan , Song Fu , Wang Jingyi , Sun Jun
Published: November 2023

As a new programming paradigm, deep learning (DL) has achieved impressive performance in areas such as image processing and speech recognition, and has expanded its application to solve many real-world problems. However, neural networks and DL are normally black-box systems; even worse, DL-based software are vulnerable to threats from abnormal examples, such as adversarial and backdoored examples constructed by attackers with malicious intentions as well as unintentionally mislabeled samples. Therefore, it is important and urgent to detect such abnormal examples. Although various detection approaches have been proposed respectively addressing some specific types of abnormal examples, they suffer from some limitations; until today, this problem is still of considerable interest. In this work, we first propose a novel characterization to distinguish abnormal examples from normal ones based on the observation that abnormal examples have significantly different (adversarial) robustness from normal ones. We systemically analyze those three different types of abnormal samples in terms of robustness and find that they have different characteristics from normal ones. As robustness measurement is computationally expensive and hence can be challenging to scale to large networks, we then propose to effectively and efficiently measure robustness of an input sample using the cost of adversarially attacking the input, which was originally proposed to test robustness of neural networks against adversarial examples. Next, we propose a novel detection method, named
attack as detection
(A
2
D for short), which uses the cost of adversarially attacking an input instead of robustness to check if it is abnormal. Our detection method is generic, and various adversarial attack methods could be leveraged. Extensive experiments show that A
2
D is more effective than recent promising approaches that were proposed to detect only one specific type of abnormal examples. We also thoroughly discuss possible adaptive attack methods to our adversarial example detection method and show that A
2
D is still effective in defending carefully designed adaptive adversarial attack methods—for example, the attack success rate drops to 0% on CIFAR10.
Algorithm 1041: HiPPIS—A High-order Positivity-preserving Mapping Software for Structured Meshes
Authors: Ouermi Timbwoga A. J. , Kirby Robert M. , Berzins Martin
Published: November 2023

Polynomial interpolation is an important component of many computational problems. In several of these computational problems, failure to preserve positivity when using polynomials to approximate or map data values between meshes can lead to negative unphysical quantities. Currently, most polynomial-based methods for enforcing positivity are based on splines and polynomial rescaling. The spline-based approaches build interpolants that are positive over the intervals in which they are defined and may require solving a minimization problem and/or system of equations. The linear polynomial rescaling methods allow for high-degree polynomials but enforce positivity only at limited locations (e.g., quadrature nodes). This work introduces open-source software (HiPPIS) for high-order data-bounded interpolation (DBI) and positivity-preserving interpolation (PPI) that addresses the limitations of both the spline and polynomial rescaling methods. HiPPIS is suitable for approximating and mapping physical quantities such as mass, density, and concentration between meshes while preserving positivity. This work provides Fortran and Matlab implementations of the DBI and PPI methods, presents an analysis of the mapping error in the context of PDEs, and uses several 1D and 2D numerical examples to demonstrate the benefits and limitations of HiPPIS.
Advanced Method for Voltage Breakdown Analysis of PEM Water Electrolysis Cells with Low Iridium Loadings
Authors: Rogler Mirjam , Suermann Michel , Wagner Richard , Thiele Simon , Straub Jochen
Published: November 2023

Proton exchange membrane water electrolysis (PEMWE) is an established technology for hydrogen production. To meet the increasing demand and further reduce costs, there is a growing interest in reducing the iridium (Ir) loading. In recent works the complex interface between porous transport layer (PTL) and catalyst layer (CL) was identified as pivotal for PEMWE performance. In this study, this interface was systematically investigated for various Ir loadings and PTL types using a voltage breakdown analysis (VBA) method to differentiate between different sources for overpotential. As expected, the oxygen evolution reaction (OER) overpotential increases with decreasing Ir loading, but its extent depends on the CL/PTL interfacial contact area and the in-plane electrical conductivity of the CL. If the latter is low, this can be partly compensated by using a proper PTL counterpart. However, especially when using low Ir loadings, the VBA method results in inconclusive OER kinetic parameters such as the apparent exchange current density. Therefore, the constant Tafel slope voltage breakdown analysis (CT-VBA) method is proposed considering possible mass transport losses even at relatively small current densities within the Tafel fit regime. These findings provide insights to tackle challenges associated with reducing Ir loading.
Effects of High Hydrostatic Pressure on the Structural, Electronic, and Elastic Properties, and Li-Ion Diffusion Barrier of Lithium Lanthanum Titanate Electrolytes: A DFT Study
Authors: Cervantes J. M. , Antonio J. E. , Rosas-Huerta J. L. , Muñoz H. , Pilo J. , Carvajal E. , Arévalo-López E. P. , Romero M. , Escamilla R.
Published: November 2023

Lithium lanthanum titanate perovskites (LLTO) are excellent solid electrolytes because of their good ionic conductivity and elasticity. In this work, the effects of high hydrostatic pressure and the impact of the position of Li impurities on the structural, electronic, elastic, and Li-ion diffusion properties of LaTiO3 perovskite (LTO) and its LLTO substitutional solid solutions, were studied. Density-Functional Theory (DFT) and Hubbard-corrected Local Density Approximation (LDA+U) were used. Due to hydrostatic pressure, the octahedral distortion of LTO, LLTO-layered (L), and -rock-salt (RS) electrolytes decreases, while it increases for the LLTO-columnar (C). On the other hand, the energy band gap (

E

g

) of LTO and LLTO-C decrease as hydrostatic pressure increases. For the LLTO-L,

E

g

increases with pressure. For the LLTO-RS,

E
g

decreases from zero to 20 GPa and increases from 20 to 30 GPa. Pugh’s criterion indicates that all systems are ductile regardless of applied pressure. Poisson’s ratio shows that bonds in the LTO are metallic, and LLTO-C is ionic-covalent. Likewise, LLTO-L and -RS electrolytes have a transition from ionic-covalent to metallic behavior, as pressure increases. Li-ion diffusion barriers of LLTO electrolytes increase with increasing hydrostatic pressure, indicating a decrease in Li ionic conductivity.
A Sensitive Electrochemical DNA Biosensor for Determination of Anti-Cancer Drug Gemcitabine Based on an AuNPs/MWCNTs/Carbon Paste Electrode
Authors: Mohammadi Masoumeh , Rafati Amir Abbas , Bagheri Ahmad
Published: November 2023

GMB is a common anticancer drug that needs careful monitoring because of its variable and toxic effects. Detecting GMB in biological samples can help adjust the dosage and enhance the treatment outcomes. In this study, a novel electrochemical sensor was developed based on a carbon paste electrode modified with single stranded DNA, gold nanoparticles and multi-walled carbon nanotubes. We characterized the unmodified (bare CPE) and modified (ss-DNA/AuNPs/MWCNTs/CPE) electrodes using scanning electron microscopy (SEM), EDX analysis and cyclic voltammetry (CV) techniques. The oxidation peak current was linearly proportional to the GMB concentration in two linear ranges: 1–10 μM and 10–50 μM, with a detection limit of 0.52 μM and a limit of quantification (LOQ) of 1.75 μM. The lower linear concentration range (1–10 μM) showed a sensitivity of 5.68 A.M−1.cm−2, while the higher range (10–50 μM) showed a sensitivity of 1.34 A.M−1.cm−2. We also investigated the repeatability, applicability and reproducibility of this method for human serum samples. We tested the selectivity and practical ability of the ss-DNA/AuNPs/MWCNTs/CPE for the determination of GMB in the presence of various interfering species and human serum samples. The results indicated that the ss-DNA/AuNPs/MWCNTs/CPE was a selective, reliable and accurate electrochemical sensor for GMB.
Nonlinear Dynamics of Coupled Nickel Electrodissolution with Hydrogen Ion Reduction with Bipolar Electrodes
Authors: Liu Yifan , Kiss István Z.
Published: November 2023

We investigate the emergence of current oscillations of a bipolar electrode (BPE) in coupled anode/cathode reaction under potentiostatic condition. In a traditional three-electrode setup, the nickel dissolution in sulfuric acid requires a minimum amount of IR ohmic drop, and thus series resistance for the oscillations to occur. In this paper, it is shown that in bipolar setup, when the nickel electrodissolution on the anodic side is coupled to hydrogen ion reduction on the cathodic side, spontaneous current oscillations can occur. An electrochemical analysis of the dynamics shows that the required circuit potential for the oscillations can be predicted from estimating the overpotentials needed for the anodic and cathodic reactions, the driving electrode, and the ohmic drop in the electrolyte. The dynamics and range of oscillations can be tuned by different concentrations of electrolyte, on both the anodic and the cathodic sides. In the considered example, the charge transfer resistance of the cathodic reaction can provide sufficient total resistance even when the solution resistance does not yield sufficient IR drop for the oscillations. Our findings have the potential to promote further studies of the collective behavior of electrochemical reactions using multielectrode arrays in bipolar electrode setups.
Electrochemical Behavior and Reduction of
UO22+
in LiCl-KCl Molten Salt
Authors: Wang Dong-Dong , Liu Ya-Lan , Zhong Yu-Ke , Jiang Shi-Lin , Liu Yi-Chuan , Chen Jia-Zhuang , Han Wei , Wang Lin , Shi Wei-Qun
Published: November 2023

In this work, we explored the electrochemical behavior and reduction process of uranyl ions

UO

2

2
+

in molten LiCl-KCl eutectic at 773 K. Cyclic voltammetry (CV) and square wave voltammetry (SWV) results showed that the reduction of

UO

2

2
+

ions on the inert W electrode was a three-step process: (1)

U

O

2

2
+

+

e

−

↔

UO

2

+

,

(2)

UO

2

+

+

e

−

↔

UO

2

and (3)

UO

2

+
4

e

−

↔
U
.

Electrolysis experiments further confirmed this reduction mechanism that

UO

2

2
+

ions were reduced to UO2 on the molybdenum electrode by applying a constant potential of −1.00 V vs Ag/AgCl and subsequently to uranium metal at a more negative potential of −2.35 V vs Ag/AgCl. In addition,

UO

2

2
+

ions could be thoroughly reduced to uranium metal through a 4-h constant current electrolysis at −18 mA cm−2. Electronic absorption spectroscopy (EAS) and inductively coupled plasma optical emission spectroscopy (ICP-OES) respectively illustrated that the oxidation state of uranium was unchanged and uranium concentration gradually decreased during the electrolysis. Finally, X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used to characterize the phase composition and microstructure of deposited products. Nano-sized UO2 and U metal particles were successfully obtained by constant potential and current electrolysis. The results of this work further reveal the electrochemical behavior and reduction mechanism of

UO

2

2
+

ions in molten LiCl-KCl, providing a guiding ideology for the pyrochemical reprocessing of oxide spent fuels.
Translating Evidence from Dutch Exercise Oncology Trials in Patients with Breast Cancer into Clinical Practice Using the RE-AIM Framework
Authors: Ten Tusscher Marieke R. , Stuiver Martijn M. , Kampshoff Caroline S. , Huijsmans Rosalie J. , Aaronson Neil K. , Velthuis Miranda , Gal Roxanne , Van Waart Hanna , May Anne M. , Buffart Laurien M.
Published: November 2023

Purpose. We aimed to evaluate the potential for implementing exercise interventions for patients with breast cancer in the Netherlands, based on findings of the Dutch randomized controlled trials in this population. Methods. We evaluated the implementation of four Dutch exercise trials retrospectively, using the five dimensions of the RE-AIM framework: Reach (exercise participation rate), Effectiveness for physical fitness, fatigue, quality of life, and physical function, Adoption (e.g., satisfaction of physical therapists guiding the exercise intervention), Implementation (cost-effectiveness and exercise adherence correlates thereof), and Maintenance (maintenance of exercise levels by individual patients and sustainability of exercise delivery at organization level). Thereby, we reflect on these results using (international) literature to gain better insight in overall barriers, facilitators, and opportunities for further implementation of exercise interventions. Results. Participation rates of 44–52% not only indicated acceptable Reach in the context of a trial but also indicated room for improvement. Effectiveness of exercise during and after treatment was demonstrated in most trials showing benefits for aerobic fitness, physical fatigue, quality of life and physical function, and high patient satisfaction. Adoption of the exercise interventions by physical therapists was adequate (satisfaction score: 7.5 out of 10). Evaluation of Implementation indicated adequate adherence to supervised exercise, inconsistent findings on potential correlates of adherence, and promising results on cost-effectiveness. Currently, reimbursement for exercise programs is lacking. Maintenance of intervention effects at the patient level was limited and inconsistent. Maintenance of intervention availability at the organizational level was facilitated by an extensive network of specially trained physical therapists, but better communication and collaboration between different healthcare professionals are desired. Conclusions. Improved implementation could particularly be achieved by increasing reach and improved focus on exercise maintenance on both the patient and organizational level.
A Coordinated Allocation Method for Right-Turn Strategy at Signalized Intersections with Optimal Pedestrian and Vehicle Delays
Authors: Bai Yu , Luo Wanyan
Published: November 2023

With strict enforcement of pedestrian right of way at all intersections, the inappropriate right-turn resource allocation from a spatial and temporal perspective will lead to a reduction in the operational efficiency of the intersection. In this paper, three spatiotemporal resource allocation schemes for right-turning vehicles are proposed, considering the vehicle and pedestrian traffic efficiency in all directions of the intersection. To minimize vehicle and pedestrian delay at the intersection individually, an optimization model is established with the effective green time of each phase and three schemes as decision variables. A right-turn vehicle and pedestrian conflict delay model is developed based on the pedestrian-vehicle interaction behavior as the constraints of the optimization model. The NSGA-II algorithm is used to solve the model, and the quantitative criteria for the exclusive right-turn lane and phase are obtained by sensitivity analysis. The results of this paper can be used as a guide for traffic design and for planning and controlling the operation of right-turning vehicles at intersections.
Process Optimization of Biodiesel Production Using Waste Snail Shell as a Highly Active Nanocatalyst
Authors: Das Shikhasmita , Anal Jasha Momo H. , Kalita Pranjal , Saikia Lakshi , Rokhum Samuel Lalthazuala
Published: November 2023

In this work, we reported the transesterification of soybean oil (SO) to biodiesel using a basic CaO nanocatalyst produced by sequential calcination, hydration, and dehydration of waste snail shells. Response-surface methodology (RSM) and a central composite design (CCD) were used to predict several optimization parameters. 1H-NMR confirmed that 98.5% of the SO was transformed into methyl ester biodiesel. Under the optimal reaction parameters of catalyst loading of 6 wt. %, methanol to oil molar ratio of 8 : 1, reaction duration of 3 h, and temperature of 70°C, an excellent biodiesel yield of 96.1% was obtained. The transesterification of SO to biodiesel displayed a significantly low activation energy (30.45 kJ mol-1), whereas, the turnover frequency of the transesterification reaction was found to be 0.0063 mol g-1 h-1. The catalyst showed excellent stability and was consecutively used for six cycles without a significant decline in catalytic activity. Based on life cycle cost analysis (LCCA), the estimated cost for producing 1 kg of biodiesel in this study comes out to be just $0.935, signifying its strong potential for widespread commercial use.
Supplementary Table S3 from Cancer-prone Phenotypes and Gene Expression Heterogeneity at Single-cell Resolution in Cigarette-smoking Lungs
Authors: Nakayama Jun , Yamamoto Yusuke
Published: November 2023

The DEGs list in basal-d clusters.
Supplementary Table S1 from Cancer-prone Phenotypes and Gene Expression Heterogeneity at Single-cell Resolution in Cigarette-smoking Lungs
Authors: Nakayama Jun , Yamamoto Yusuke
Published: November 2023

A list of publicly-available 8 datasets for the atlas.
Supplementary Figure S5 from Cancer-prone Phenotypes and Gene Expression Heterogeneity at Single-cell Resolution in Cigarette-smoking Lungs
Authors: Nakayama Jun , Yamamoto Yusuke
Published: November 2023

Fibroblast analysis of smoker and never-smoker lungs.
Supplementary Figure S4 from Cancer-prone Phenotypes and Gene Expression Heterogeneity at Single-cell Resolution in Cigarette-smoking Lungs
Authors: Nakayama Jun , Yamamoto Yusuke
Published: November 2023

Epithelial cell analysis of smoker and never-smoker lungs.
Supplementary Figure S3 from Cancer-prone Phenotypes and Gene Expression Heterogeneity at Single-cell Resolution in Cigarette-smoking Lungs
Authors: Nakayama Jun , Yamamoto Yusuke
Published: November 2023

UMAP plots for selected marker genes.
Supplementary Figure S2 from Cancer-prone Phenotypes and Gene Expression Heterogeneity at Single-cell Resolution in Cigarette-smoking Lungs
Authors: Nakayama Jun , Yamamoto Yusuke
Published: November 2023

Detailed information of the integrated lung scRNA-seq atlas.
Supplementary Figure S11 from Cancer-prone Phenotypes and Gene Expression Heterogeneity at Single-cell Resolution in Cigarette-smoking Lungs
Authors: Nakayama Jun , Yamamoto Yusuke
Published: November 2023

Analysis of GWAS-based squamous cell carcinoma-related genes.
Supplementary Figure S10 from Cancer-prone Phenotypes and Gene Expression Heterogeneity at Single-cell Resolution in Cigarette-smoking Lungs
Authors: Nakayama Jun , Yamamoto Yusuke
Published: November 2023

Verifying VARIED analysis by repeating random sampling.
FIGURE 2 from Cancer-prone Phenotypes and Gene Expression Heterogeneity at Single-cell Resolution in Cigarette-smoking Lungs
Authors: Nakayama Jun , Yamamoto Yusuke
Published: November 2023

Cell-type classification of the integrated lung atlas. UMAP plots for each cell type cluster. The UMAP plot of the cigarette-smoking lung atlas was divided into five UMAP plots based on the cell-type clusters. Heat maps of selected marker genes in each cell type cluster. Each cluster was defined according to marker expression profiles. A, Epithelia: 13 clusters. B, Fibroblasts: 7 clusters. C, Endothelial cells: 5 clusters. D, Lymphoid cells: 6 clusters. E, Myeloid cells: nine clusters. F, Relative cell number plots between smokers and never-smokers in 39 cell types in the integrated atlas. Welch t test; *, P < 0.05. Blue line: epithelial cell types, pink line: fibroblastic cell types, light blue line: endothelial cell types, light green line: lymphoid cell types, and green line: myeloid cell types.
Sitagliptin Extends Lifespan of Caenorhabditis elegans by Inhibiting Insulin/Insulin-Like Signaling and Activating Dietary Restriction-Like Signaling Pathways
Authors: Ye Qunshan , Li Yimin , Wang Cheng , Zheng Jingming , Qiao Jing , Yang Jing , Wan Qin-Li
Published: November 2023

Introduction: The discovery of longevity molecules that delay aging and prolong lifespan has always been a dream of humanity. Sitagliptin phosphate (SIT), an oral dipeptidyl peptidase-4 (DPP-4) inhibitor, is an oral drug commonly used in the treatment of type 2 diabetes (T2D). In addition to being antidiabetic, previous studies have reported that SIT has shown potential to improve health. However, whether SIT plays a role in the amelioration of aging and the underlying molecular mechanism remain undetermined. Methods: Caenorhabditis elegans (C. elegans) was used as a model of aging. Lifespan assays were performed with adult-stage worms on nematode growth medium plates containing FUdR with or without the specific concentration of SIT. The period of fast body movement, body bending rates, and pharyngeal pumping rates were recorded to assess the healthspan of C. elegans. Gene expression was confirmed by GFP fluorescence signal of transgenic worms and qPCR. In addition, the intracellular reactive oxygen species levels were measured using a free radical sensor H2DCF-DA. Results: We found that SIT significantly extended lifespan and healthspan of C. elegans. Mechanistically, we found that several age-related pathways and genes were involved in SIT-induced lifespan extension. The transcription factors DAF-16/FOXO, SKN-1/NRF2, and HSF-1 played important roles in SIT-induced longevity. Moreover, our findings illustrated that SIT-induced survival benefits by inhibiting the insulin/insulin-like signaling pathway and activating the dietary restriction-related and mitochondrial function-related signaling pathways. Conclusion: Our work may provide a theoretical basis for the development of anti-T2D drugs as antiaging drugs, especially for the treatment of age-related disease in diabetic patients.
BCR::ABL1-Like B-Cell Acute Lymphoblastic Leukemia with BCR::PDGFRA Fusion: A Case Report and Literature Review
Authors: Hua Jiamin , Yan Han , Qian Xiangyu , Gao Dongyan , Yang Bo , Xu Yubing , Li Jianfeng , Weng Xiangqin , Zhu Yongmei , Mi Jian-Qing , Wang Jin
Published: November 2023

Introduction: We report a case of B-cell acute lymphoblastic leukemia (B-ALL) involving the breakpoint cluster region (BCR) and platelet-derived growth factor receptor alpha (PDGFRA) (BCR::PDGFRA) fusion gene, classified as a BCR::ABL1-like subtype. To our knowledge, this is the first such report. Case Presentation: The patient tested negative for BCR::ABL1 fusion. t(4;22)(q12;q11.2) was detected by karyotype analysis. BCR::PDGFRA transcripts were detected by RNA sequencing. Dasatinib combined with chemotherapy was ineffective. Furthermore, EZH2 mutation was detected. Imatinib, which led to complete remission, was administered; flow cytometry revealed that the minimal residual disease had dropped to 0.008%, and RT-qPCR revealed that BCR::PDGFRA/ABL1 dropped to 9.18 × 10−4. Conclusion: It is noteworthy that imatinib was more effective than dasatinib in our case, although the duration of remission was short. Our findings suggest that other therapies like allogeneic hematopoietic stem cell transplantation may need to be combined to improve long-term survival in ALL cases with BCR::PDGFRA.
Recent Progress of Image-Enhanced Endoscopy for Upper Gastrointestinal Neoplasia and Associated Lesions
Authors: Miura Yoshimasa , Osawa Hiroyuki , Sugano Kentaro
Published: November 2023

Background: The main therapeutic modality of early upper gastrointestinal neoplasms has shifted from surgery to endoscopic therapy. The role of endoscopy has also expanded not only for more accurate diagnosis of neoplasms but also for the determination of extent and depth of neoplasms with a combination of multiple electronically modified images acquired with image-enhanced endoscopy (IEE) for assessing the feasibility of endoscopic treatment. Summary: These IEE with or without magnifying endoscopy including narrow-band imaging, blue laser imaging, and linked color imaging (LCI) using narrow-band light have greatly changed the diagnosis for upper gastrointestinal neoplasms. These modalities produce high color contrast between cancer and surrounding mucosa at distant views and clear visualization of surface and vessels at close-up observations. LCI shows purple color of intestinal metaplasia (IM) distinct from other inflammatory gastric mucosae and facilitates the recognition of early gastric cancers often surrounded by IM. Recently, ultrathin endoscopy has provided high-resolution images similar to standard-caliber endoscopy. In addition, these advanced IEEs that integrate computer-assisted artificial intelligence systems are marked and will improve our diagnostic performance for neoplasia in the future. Key Message: New IEE with sufficient brightness and color contrast has increasingly been used based on accumulated evidence for early and accurate detection of neoplastic lesions. We provide recent articles relevant to endoscopic diagnosis with IEE on esophageal, gastric, and duodenal neoplasms. Endoscopic equipment that integrates artificial intelligence support system is now being introduced into routine clinical use and is expected to enhance early detection of neoplastic lesions.