bluuebunny/crossref_metadata_2025 huggingface dataset:
Identification of a potent palladium-aryldiphosphine catalytic system for high-performance carbonylation of alkenes
Authors: Zhao Kang , Wang Hongli , Li Teng , Liu Shujuan , Benassi Enrico , Li Xiao , Yao Yao , Wang Xiaojun , Cui Xinjiang , Shi Feng
Published: March 2024

The development of stable and efficient ligands is of vital significance to enhance the catalytic performance of carbonylation reactions of alkenes. Herein, an aryldiphosphine ligand (L11) bearing the [Ph2P(ortho-C6H4)]2CH2 skeleton is reported for palladium-catalyzed regioselective carbonylation of alkenes. Compared with the industrially successful Pd/1,2-bis(di-tert-butylphosphinomethyl)benzene catalyst, catalytic efficiency catalyzed by Pd/L11 on methoxycarbonylation of ethylene is obtained, exhibiting better catalytic performance (TON: >2,390,000; TOF: 100,000 h−1; selectivity: >99%) and stronger oxygen-resistance stability. Moreover, a substrate compatibility (122 examples) including chiral and bioactive alkenes or alcohols is achieved with up to 99% yield and 99% regioselectivity. Experimental and computational investigations show that the appropriate bite angle of aryldiphosphine ligand and the favorable interaction of 1,4-dioxane with Pd/L11 synergistically contribute to high activity and selectivity while the electron deficient phosphines originated from electron delocalization endow L11 with excellent oxygen-resistance stability.
Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D
Authors: Zheng Qinheng , Zhang Ziyang , Guiley Keelan Z. , Shokat Kevan M.
Published: March 2024

K-Ras is the most commonly mutated oncogene in human cancer. The recently approved non-small cell lung cancer drugs sotorasib and adagrasib covalently capture an acquired cysteine in K-Ras-G12C mutation and lock it in a signaling-incompetent state. However, covalent inhibition of G12D, the most frequent K-Ras mutation particularly prevalent in pancreatic ductal adenocarcinoma, has remained elusive due to the lack of aspartate-targeting chemistry. Here we present a set of malolactone-based electrophiles that exploit ring strain to crosslink K-Ras-G12D at the mutant aspartate to form stable covalent complexes. Structural insights from X-ray crystallography and exploitation of the stereoelectronic requirements for attack of the electrophile allowed development of a substituted malolactone that resisted attack by aqueous buffer but rapidly crosslinked with the aspartate-12 of K-Ras in both GDP and GTP state. The GTP-state targeting allowed effective suppression of downstream signaling, and selective inhibition of K-Ras-G12D-driven cancer cell proliferation in vitro and xenograft growth in mice.
Real-time detection of 20 amino acids and discrimination of pathologically relevant peptides with functionalized nanopore
Authors: Zhang Ming , Tang Chao , Wang Zichun , Chen Shanchuan , Zhang Dan , Li Kaiju , Sun Ke , Zhao Changjian , Wang Yu , Xu Mengying , Dai Lunzhi , Lu Guangwen , Shi Hubing , Ren Haiyan , Chen Lu , Geng Jia
Published: March 2024

Precise identification and quantification of amino acids is crucial for many biological applications. Here we report a copper(II)-functionalized Mycobacterium smegmatis porin A (MspA) nanopore with the N91H substitution, which enables direct identification of all 20 proteinogenic amino acids when combined with a machine-learning algorithm. The validation accuracy reaches 99.1%, with 30.9% signal recovery. The feasibility of ultrasensitive quantification of amino acids was also demonstrated at the nanomolar range. Furthermore, the capability of this system for real-time analyses of two representative post-translational modifications (PTMs), one unnatural amino acid and ten synthetic peptides using exopeptidases, including clinically relevant peptides associated with Alzheimer’s disease and cancer neoantigens, was demonstrated. Notably, our strategy successfully distinguishes peptides with only one amino acid difference from the hydrolysate and provides the possibility to infer the peptide sequence.
Detecting radioactive particles in complex environmental samples using real-time autoradiography
Authors: Ang Joyce W. L. , Bongrand Arthur , Duval Samuel , Donnard Jérôme , Jolis Ester M. , Utsunomiya Satoshi , Minomo Kenta , Koivula Risto , Siitari-Kauppi Marja , Law Gareth T. W.
Published: March 2024

Radioactive particles often contain very high radioactivity concentrations and are widespread. They pose a potential risk to human health and the environment. Their detection, quantification, and characterization are crucial if we are to understand their impact. Here, we present the use of a real-time autoradiography gaseous detector (using parallel ionization multiplier) to expedite and improve the accuracy of radioactive particle screening in complex environmental samples. First, standard particles were used to assess the detector capabilities (spatial resolution, spectrometry, and artefact contributions), then, we applied the technique to more complex and environmentally relevant samples. The real-time autoradiography technique provides data with a spatial resolution (≲100 µm) suitable for particle analysis in complex samples. Further, it can differentiate between particles predominantly emitting alpha and beta radiation. Here, the technique is applied to radioactive cesium-rich microparticles collected from the Fukushima Daiichi nuclear exclusion zone, showing their accurate detection, and demonstrating the viability of real-time autoradiography in environmental scenarios. Indeed, for more complex samples (radioactive particles in a less radioactive heterogeneous background mix of minerals), the technique permits relatively high selectivity for radioactive particle screening (up to 61.2% success rate) with low false positive percentages (~ 1%).
Single-polyp metabolomics for coral health assessment
Authors: Iguchi Akira , Iijima Mariko , Mizusawa Nanami , Ohno Yoshikazu , Yasumoto Ko , Suzuki Atsushi , Suga Shunichi , Tanaka Ken , Zaitsu Kei
Published: March 2024

Coral reef ecosystems supported by environmentally sensitive reef-building corals face serious threats from human activities. Our understanding of these reef threats is hampered by the lack of sufficiently sensitive coral environmental impact assessment systems. In this study, we established a platform for metabolomic analysis at the single-coral-polyp level using state-of-the-art mass spectrometry (probe electrospray ionization/tandem mass spectrometry; PESI/MS/MS) capable of fine-scale analysis. We analyzed the impact of the organic UV filter, benzophenone (BP), which has a negative impact on corals. We also analyzed ammonium and nitrate samples, which affect the environmental sensitivity of coral-zooxanthella (Symbiodiniaceae) holobionts, to provide new insights into coral biology with a focus on metabolites. The method established in this study breaks new ground by combining PESI/MS/MS with a technique for coral polyps that can control the presence or absence of zooxanthellae in corals, enabling functions of zooxanthellae to be assessed on a polyp-by-polyp basis for the first time. This system will clarify biological mechanisms of corals and will become an important model system for environmental impact assessment using marine organisms.
A publicly available deep learning model and dataset for segmentation of breast, fibroglandular tissue, and vessels in breast MRI
Authors: Lew Christopher O. , Harouni Majid , Kirksey Ella R. , Kang Elianne J. , Dong Haoyu , Gu Hanxue , Grimm Lars J. , Walsh Ruth , Lowell Dorothy A. , Mazurowski Maciej A.
Published: March 2024

Breast density, or the amount of fibroglandular tissue (FGT) relative to the overall breast volume, increases the risk of developing breast cancer. Although previous studies have utilized deep learning to assess breast density, the limited public availability of data and quantitative tools hinders the development of better assessment tools. Our objective was to (1) create and share a large dataset of pixel-wise annotations according to well-defined criteria, and (2) develop, evaluate, and share an automated segmentation method for breast, FGT, and blood vessels using convolutional neural networks. We used the Duke Breast Cancer MRI dataset to randomly select 100 MRI studies and manually annotated the breast, FGT, and blood vessels for each study. Model performance was evaluated using the Dice similarity coefficient (DSC). The model achieved DSC values of 0.92 for breast, 0.86 for FGT, and 0.65 for blood vessels on the test set. The correlation between our model’s predicted breast density and the manually generated masks was 0.95. The correlation between the predicted breast density and qualitative radiologist assessment was 0.75. Our automated models can accurately segment breast, FGT, and blood vessels using pre-contrast breast MRI data. The data and the models were made publicly available.
The use of wearable resistance and weighted vest for sprint performance and kinematics: a systematic review and meta-analysis
Authors: Bertochi Gabriel Felipe Arantes , Tasinafo Júnior Márcio Fernando , Santos Izabela A. , Sasaki Jeffer Eidi , Mota Gustavo R. , Jordão Gabriela Gregorutti , Puggina Enrico Fuini
Published: March 2024

Wearable resistance (WR) and weighted vests (WV) can be used in almost all training conditions to enhance sprint performance; however, positioning and additional mass are different in WV and WR strategies, affecting performance and kinematics differently. We aimed to systematically review the literature, searching for intervention studies that reported the acute or chronic kinematic and performance impact of WV and WR and comparing them. We analyzed Pubmed, Embase, Scopus, and SPORTDiscuss databases for longitudinal and cross-over studies investigating sprint performance or kinematics using an inverse-variance with a random-effect method for meta-analysis. After the eligibility assessment, 25 studies were included in the meta-analysis. Cross-over WR and WV studies found significantly higher sprint times and higher ground contact times (CT) compared to unloaded (UL) conditions. However, WR presented a lower step frequency (SF) compared to UL, whereas WV presented a lower step length (SL). Only one study investigated the chronic adaptations for WR, indicating a superiority of the WR group on sprint time compared to the control group. However, no difference was found chronically for WV regarding sprint time, CT, and flight time (FT). Our findings suggest that using WV and WR in field sports demonstrates overload sprint gesture through kinematic changes, however, WR can be more suitable for SF-reliant athletes and WV for SL-reliant athletes. Although promising for chronic performance improvement, coaches and athletes should carefully consider WV and WR use since there is no supporting evidence that WV or WR will impact sprint performance, CT, and FT.
Optimization design of brushless DC motor based on improved JAYA algorithm
Authors: Cheng Yuan , Lyu Xueli , Mao Shasha
Published: March 2024

Brushless direct current motor is widely used in industrial production because of its simple structure, wide speed range and low noise. To improve the operation efficiency of brushless DC motor and reduce the production and application costs, the optimization of brushless DC motor is analyzed by introducing the JAYA algorithm. This method determines the optimal parameters of a brushless DC motor using the theory of electromagnetic structure parameter selection and efficiency calculation. The population diversity of the JAYA algorithm is improved through an empirical learning strategy, and an adaptive strategy is introduced to balance the development ability and search performance of the algorithm. This ensures population diversity and improves convergence speed. The experiment showcases that the improved JAYA algorithm has a lower rank average in unimodal function operations, demonstrating stronger local development ability and better stability. It exhibits strong search ability in many local optima of multimodal functions. Moreover, the motor's average efficiency after optimization is 94.48%. The algorithm reaches the global optimum after approximately 40 iterations and offers faster convergence speed and higher accuracy. The adaptive JAYA algorithm is stable at around 93% when the number of iterations reaches 90, with a maximum efficiency of 95.3%. It is 5–12 percentage points higher than the other three comparison algorithms. The optimal solution of the motor parameters in the adaptive JAYA algorithm is closest to the theoretical parameter optimization value, meeting both the constraints of variables and the constraints of the model. The stator diameter, tooth magnetic induction, winding current density, air gap magnetic induction, and stator yoke magnetic induction values are 201.5 mm, 1.8 T, 2.049 A/mm2, 0.63 T, and 0.91 T, respectively. The research overcomes the problem of parameter optimization in the optimization design of brushless DC motor, improving their economic value of brushless DC motor in industrial production and application.
New oxadiazole and pyrazoline derivatives as anti-proliferative agents targeting EGFR-TK: design, synthesis, biological evaluation and molecular docking study
Authors: Serag Marwa I. , Tawfik Samar S. , Badr Sahar M. I. , Eisa Hassan M.
Published: March 2024

Two new series of oxadiazole and pyrazoline derivatives were designed and synthesized as promising EGFR-TK inhibitors. The in vitro antiproliferative activity was studied against three human cancer cell lines; HCT116, HepG-2 and MCF7 using MTT assay. Compound 10c showed the most potent anticancer activity against all cancer cell lines, with IC50 range of 1.82 to 5.55 μM, while proving safe towards normal cells WI-38 (IC50 = 41.17 μM) compared to the reference drug doxorubicin (IC50 = 6.72 μM). The most active candidates 5a, 9b, 10a, 10b and 10c were further assessed for their EGFR-TK inhibition. The best of which, compounds 5a and 10b showed IC50 of 0.09 and 0.16 μM respectively compared to gefitinib (IC50 = 0.04 μM). Further investigation against other EGFR family members, showed that 5a displayed good activities against HER3 and HER4 with IC50 values 0.18 and 0.37 µM, respectively compared to gefitinib (IC50 = 0.35 and 0.58 µM, respectively). Furthermore, 5a was evaluated for cell cycle distribution and apoptotic induction on HepG-2 cells. It induced mitochondrial apoptotic pathway and increased accumulation of ROS. Molecular docking study came in agreement with the biological results. Compounds 5a and 10b showed promising drug-likeness with good physicochemical properties.
ZnO@ activated carbon derived from wood sawdust as adsorbent for removal of methyl red and methyl orange from aqueous solutions
Authors: Sayed Nessma S. M. , Ahmed Abdelaal S. A. , Abdallah Mohamed H. , Gouda Gamal A.
Published: March 2024

Activated carbon (AC) and ZnO@AC composite derived from wood sawdust were prepared to be utilized as adsorbents for methyl red (MR) and methyl orange (MO) anionic dyes from the aqueous solutions. The maximum adsorption capacity of the AC and ZnO@AC composite toward both dyes was achieved in the strong acidic medium (pH = 3), and under stirring for 60 min. The kinetic studies revealed that the adsorption of MR and MO dyes onto the AC and ZnO@AC composite fitted well with the pseudo-second-order model. Furthermore, the intraparticle diffusion and Elovich kinetic models confirmed the adsorption is controlled by external surfaces, and the adsorption is chemisorption process. The isotherm results indicated that the MR and MO dye adsorption occurred via monolayer adsorption, and the estimated maximum adsorption capacities of both dyes onto the ZnO@AC composite were higher than those achieved by AC. Thermodynamic analysis suggested that the adsorption is endothermic and spontaneous. The mechanism for MR, and MO dyes adsorption onto the AC and ZnO@AC composite is proposed to be controlled by electrostatic bonding, π–π interactions, and ion exchange, while H-bonding and n–π interactions were minor contributors. This study reveals the potential use of carbon-based adsorbents derived from wood sawdust for the removal of anionic dyes from wastewater.
Object-centered family interactions for young autistic children: a diary study
Authors: Hu Yuqi , Sun Xu , Yao Cheng , Luo Shijian , Liu Bingjian , Xue Mengru , Lyu Hui
Published: March 2024

Autistic Children often struggle with social interaction and communication, studies have found that many of them prefer to interact with objects than people. However, there is a lack of research exploring the specific characteristics and factors involved in interactions within families with autistic children where objects are the center of the interaction. This paper describes the process and findings of a diary study exploring how young autistic children interact with their families through objects in natural scenarios. A one-week diary study was conducted with six families with young autistic children. Diary videos were recorded onsite and coded later according to a social interaction behavior scheme with corresponding diary entries. Qualitative data analysis was conducted to reveal possible patterns. Results revealed ongoing difficulties in establishing and maintaining family interaction and identified influential factors of object-centered family interaction. The most prevalent pattern observed was parents taking the lead in interactions, followed by the child's confirmation response. Remarkably, daily necessities emerged as potential physical mediums for enhancing family interactions, opening avenues for exploring tangible designs in human–computer interaction. These findings offer valuable implications for future research and the development of innovative designs that promote enriching interactions for autistic children and their families.
Direct coupled electrical stimulation towards improved osteogenic differentiation of human mesenchymal stem/stromal cells: a comparative study of different protocols
Authors: Silva João C. , Meneses João , Garrudo Fábio F. F. , Fernandes Sofia R. , Alves Nuno , Ferreira Frederico Castelo , Pascoal-Faria Paula
Published: March 2024

Electrical stimulation (ES) has been described as a promising tool for bone tissue engineering, being known to promote vital cellular processes such as cell proliferation, migration, and differentiation. Despite the high variability of applied protocol parameters, direct coupled electric fields have been successfully applied to promote osteogenic and osteoinductive processes in vitro and in vivo. Our work aims to study the viability, proliferation, and osteogenic differentiation of human bone marrow-derived mesenchymal stem/stromal cells when subjected to five different ES protocols. The protocols were specifically selected to understand the biological effects of different parts of the generated waveform for typical direct-coupled stimuli. In vitro culture studies evidenced variations in cell responses with different electric field magnitudes (numerically predicted) and exposure protocols, mainly regarding tissue mineralization (calcium contents) and osteogenic marker gene expression while maintaining high cell viability and regular morphology. Overall, our results highlight the importance of numerical guided experiments to optimize ES parameters towards improved in vitro osteogenesis protocols.
Design and analysis of ELM-based predefined time sliding mode adaptive controller for PMLM position control under physical constraints
Authors: Riaz Saleem , Li Bingqiang , Qi Rong
Published: March 2024

Achieving accurate position tracking for robotics and industrial servo systems is an extremely challenging task, particularly when dealing with control saturation, parameter perturbation, and external disturbance. To address these challenges, a predefined time convergent sliding mode adaptive controller (PTCSMAC) has been proposed for a permanent magnet linear motor (PMLM). A novel sliding mode surface (SMS) with predefined time convergence PDTC has been constructed, which ensures that the error converges to zero within the prescribed time. The system not only meets the expected performance standards but also has a uniformly bounded motor speed. The trajectory tracking error in SMS is proven to converge to zero within the predefined time. This predefined time stability of the closed-loop system has been demonstrated by using the Lyapunov stability criterion with PDTC. The convergence time (CT) can be arbitrarily set, and the upper bound of it is not affected by the initial value and control parameters of the system. A new updated version of extreme learning machine (ELM) is introduced to approximate the uncertain part of the system based on PDTC. The ELM is also provided with the hyperbolic tangent function to estimate the saturation constraint. This is done by converting the function into a linear function concerning the unconstrained control input variable. Then, based on established stability, a novel sliding mode adaptive controller (PTCSMAC) with predefined time convergence is designed. The convergence time (CT) of the controller is unaffected by the initial conditions as well as the control parameters. The rigorous numerical simulations on the PMLM model with complex disturbances verify the strong robustness and high-precision tracking characteristic of the proposed control law.
Development of a composite drought indicator for operational drought monitoring in the MENA region
Authors: Bergaoui Karim , Fraj Makram Belhaj , Fragaszy Stephen , Ghanim Ali , Hamadin Omar , Al-Karablieh Emad , Al-Bakri Jawad , Fakih Mona , Fayad Abbas , Comair Fadi , Yessef Mohamed , Mansour Hayat Ben , Belgrissi Haythem , Arsenault Kristi , Peters-Lidard Christa , Kumar Sujay , Hazra Abheera , Nie Wanshu , Hayes Michael , Svoboda Mark , McDonnell Rachael
Published: March 2024

This paper presents the composite drought indicator (CDI) that Jordanian, Lebanese, Moroccan, and Tunisian government agencies now produce monthly to support operational drought management decision making, and it describes their iterative co-development processes. The CDI is primarily intended to monitor agricultural and ecological drought on a seasonal time scale. It uses remote sensing and modelled data inputs, and it reflects anomalies in precipitation, vegetation, soil moisture, and evapotranspiration. Following quantitative and qualitative validation assessments, engagements with policymakers, and consideration of agencies’ technical and institutional capabilities and constraints, we made changes to CDI input data, modelling procedures, and integration to tailor the system for each national context. We summarize validation results, drought modelling challenges and how we overcame them through CDI improvements, and we describe the monthly CDI production process and outputs. Finally, we synthesize procedural and technical aspects of CDI development and reflect on the constraints we faced as well as trade-offs made to optimize the CDI for operational monitoring to support policy decision-making—including aspects of salience, credibility, and legitimacy—within each national context.
Causal association study of the dynamic development of the metabolic syndrome based on longitudinal data
Authors: Razbek Jaina , Bao Liangliang , Zhang Yan , Daken Mayisha , Cao Mingqin
Published: March 2024

The dynamic progression of metabolic syndrome (MetS) includes developmental deterioration and reverse recovery; however, the key factors in this bidirectional progression have not been identified. Our study aimed to use the data obtained from the China Health and Retirement Longitudinal Study (CHARLS) and construct a Bayesian network to explore the causal relationship between influential factor and the development and recovery of MetS. Followed up at 4 years, forward progression of MetS occurred in 1543 and reverse recovery of MetS occurred in 1319 of 5581 subjects. Bayesian Networks showed that hyperuricemia and body mass index (BMI) levels directly influenced progression of MetS, and gender, exercise and age play an indirect role through hyperuricemia and BMI levels; high hemoglobin A1c (HbA1c) and BMI levels directly influenced recovery of MetS, and gender and exercise play an indirect role through BMI levels. Bayesian Network inference found that the rate of progression of MetS in subjects with hyperuricemia increases from 36 to 60%, the rate of progression of MetS in subjects with overweight or obese increases from 36 to 41% and the rate of reverse recovery rate of MetS in subjects with high HbA1c decreased from 33 to 20%. Therefore, attention to individuals at high risk of hyperuricemia, high HbA1c levels, and overweight/obesity should be enhanced, with early detection and following healthy behavioral interventions to prevent, control and delay the progression of MetS and its components.
Hexavalent chromium ion removal from wastewater using novel nanocomposite based on the impregnation of zero-valent iron nanoparticles into polyurethane foam
Authors: Saad Eman M. , Abd-Elhafiz Mohammed F. , Ahmed Eman M. , Markeb Ahmad Abo
Published: March 2024

In this study, we developed a novel nanocomposite, polyurethane foam impregnated with zero-valent iron nanoparticles (PU@nZVI), for the effective removal of chromium(VI) from various water sources. The characterization of nanocomposite (PU@nZVI) was performed by XRD, SEM–EDS, TEM and FT-IR techniques. Using the response surface methodology, we optimized the removal conditions, achieving an optimal pH of 2 and a dose of 0.5 g/L. The PU@nZVI demonstrated an excellent maximum adsorption capacity of 600.0 mg/g for Cr6+. The adsorption kinetics and isotherms were best described by the pseudo-second-order model and the Freundlich isotherm, respectively. Significantly, the nanocomposite removed 99.98% of Cr6+ from tap water, 96.81% from industrial effluent, and 94.57% from treated sewage wastewater. Furthermore, the PU@nZVI maintained its efficiency over five adsorption–desorption cycles, highlighting its reusability. These results suggest that the PU@nZVI nanocomposite is a highly efficient and sustainable option for chromium(VI) removal in water treatment applications.
Physical characterization, biocompatibility, and antimicrobial activity of polyvinyl alcohol/sodium alginate blend doped with TiO2 nanoparticles for wound dressing applications
Authors: Ibrahim Manar A. , Nasr G. M. , Ahmed R. M. , Kelany Nermeen A.
Published: March 2024

The ability of wound dressing materials to tackle skin pathogens colonization that is associated with open wound infections is limited. Recently, green-synthesized metal oxide nanoparticles has received a lot of attention to overcome this limitation. However, titanium dioxide nanoparticles (TiO2-NPs) exhibit exceptional antibacterial properties. In this work, several concentrations (0, 1, 3, and 5 wt.%) of TiO2 NPs prepared using Aloe vera leaf extract were added to a blend of polyvinyl alcohol and sodium alginate (PVA:SA). This nanocomposite was designed to enhance the healing process of wounds. The interaction between the PVA:SA composite and the TiO2 NPs was confirmed by FTIR. The thermal behavior of the nanocomposite films was investigated using DSC and TGA. The experimental results indicate that the glass transition temperatures of the nanocomposites increased by increasing the added amount of TiO2 NPs to be 53.7 °C (1 wt.%), 55.8 °C (3 wt.%), and 60.6 °C (5 wt.%), which were consistently lower than the glass transition temperature of the matrix material (69.6 °C). The Dynamic Mechanical Analysis was examined. The nanocomposite doped with 5 wt.% of TiO2 NPs detected a high storage modulus (21.6 × 108). Based on swelling and degradation studies, the prepared PVA:SA:TiO2 nanocomposite films have an excellent swelling rate, and the inclusion of TiO2 NPs increases the stability of the polymeric matrix. The PVA:SA:TiO2 nanocomposite films exhibited a superior antibacterial efficacy against Gram-positive bacteria such as Bacillus cereus and Staphylococcus aureus, compared to their effectiveness against Gram-negative bacteria like Escherichia coli. Moreover, the nanocomposite films were biocompatible with Human Skin Fibroblast. Therefore, the developed PVA:SA:TiO2 nanocomposite films suit wound dressing applications.
Band-offsets scaling of low-index Ge/native-oxide heterostructures
Authors: Ong Bin Leong , Tok Eng Soon
Published: March 2024

We investigate, through XPS and AFM, the pseudo layer-by-layer growth of Ge native oxide across Ge(001), (110) and (111) surfaces in ambient environment. More significantly, our study reveals a universal set of valence and conduction band offset (VBO and CBO) values observed for Ge(001), Ge(110), and Ge(111) surfaces as a function of Ge-oxide concentration. We find that the band offsets appear to be the same across these low-index Ge surfaces i.e., for Ge-oxide/Ge heterostructures with the same Ge-oxide overlayer concentration or thickness. In contrast, different oxidation rates for Ge(001), Ge(110), and Ge(111) surfaces were observed, where the oxidation rate is fastest for Ge(001), compared to Ge(110) and Ge(111). This can be attributed to the different number of unsatisfied Ge dangling bonds (2 vs 1) associated to the respective ideal Ge surface in forming Ge-oxide. Thus, at any given oxidation time, the oxide concentration or thickness for each type of low index Ge surface will be different. This in turn will lead to different band offset value observed for each type of Ge surface. More significantly, we show that while oxidation rates can differ from different Ge surface-types, the band offset values can be estimated simply based on the Ge-oxide concentration regardless of Ge surface type.
Explicit scheme for solving variable-order time-fractional initial boundary value problems
Authors: Kanwal Asia , Boulaaras Salah , Shafqat Ramsha , Taufeeq Bilal , ur Rahman Mati
Published: March 2024

The creation of an explicit finite difference scheme with the express purpose of resolving initial boundary value issues with linear and semi-linear variable-order temporal fractional properties is presented in this study. The rationale behind the utilization of the Caputo derivative in this scheme stems from its known importance in fractional calculus, an area of study that has attracted significant interest in the mathematical sciences and physics. Because of its special capacity to accurately represent physical memory and inheritance, the Caputo derivative is a relevant and appropriate option for representing the fractional features present in the issues this study attempts to address. Moreover, a detailed Fourier analysis of the explicit finite difference scheme’s stability is shown, demonstrating its conditional stability. Finally, certain numerical example solutions are reviewed and MATLAB-based graphic presentations are made.
An extensive assessment of the impacts of BaO on the mechanical and gamma-ray attenuation properties of lead borosilicate glass
Authors: Sayyed M. I. , Mahmoud K. A. , Arayro Jack , Maghrbi Yasser , Mhareb M. H. A.
Published: March 2024

The current work deals with the synthesis of a new glass series with a chemical formula of 5Al2O3–25PbO–10SiO2–(60-x) B2O3–xBaO; x was represented as 5, 10, 15, and 20 mol%. The FT-IR spectroscopy was used to present the structural modification by rising the BaO concentration within the synthesized glasses. Furthermore, the impacts of BaO substitution for B2O3 on the fabricated borosilicate glasses were investigated using the Makishima-Mackenzie model. Besides, the role of BaO in enhancing the gamma-ray shielding properties of the fabricated boro-silicate glasses was examined utilizing the Monte Carlo simulation. The mechanical properties evaluation depicts a reduction in the mechanical moduli (Young, bulk, shear, and longitudinal) by the rising of the Ba/B ratio in the fabricated glasses. Simultaneously, the micro-hardness boro-silicate glasses was reduced from 4.49 to 4.12 GPa by increasing the Ba2+/B3+ ratio from 0.58 to 3.18, respectively. In contrast, the increase in the Ba/B ratio increases the linear attenuation coefficient, where it is enhanced between 0.409 and 0.448 cm−1 by rising the Ba2+/B3+ ratio from 0.58 to 3.18, respectively. The enhancement in linear attenuation coefficient decreases the half-value thickness from 1.69 to 1.55 cm and the equivalent thickness of lead is also reduced from 3.04 to 2.78 cm, at a gamma-ray energy of 0.662 MeV. The study shows that the increase in the Ba2+/B3+ ratio enhances the radiation shielding capacity of the fabricated glasses however, it slightly degrades the mechanical properties of the fabricated glasses. Therefore, glasses with high ratios of Ba2+/B3+ have high gamma-ray shielding ability to be used in hospitals as a shielding material.
Individualized physiology-based digital twin model for sports performance prediction: a reinterpretation of the Margaria–Morton model
Authors: Boillet Alice , Messonnier Laurent A. , Cohen Caroline
Published: March 2024

Performance in many racing sports depends on the ability of the athletes to produce and maintain the highest possible work i.e., the highest power for the duration of the race. To model this energy production in an individualized way, an adaptation and a reinterpretation (including a physiological meaning of parameters) of the three-component Margaria–Morton model were performed. The model is applied to the muscles involved in a given task. The introduction of physiological meanings was possible thanks to the measurement of physiological characteristics for a given athlete. A method for creating a digital twin was therefore proposed and applied for national-level cyclists. The twins thus created were validated by comparison with field performance, experimental observations, and literature data. Simulations of record times and 3-minute all-out tests were consistent with experimental data. Considering the literature, the model provided good estimates of the time course of muscle metabolite concentrations (e.g., lactate and phosphocreatine). It also simulated the behavior of oxygen kinetics at exercise onset and during recovery. This methodology has a wide range of applications, including prediction and optimization of the performance of individually modeled athletes.
Nomograms based on the lymphocyte–albumin–neutrophil ratio (LANR) for predicting the prognosis of nasopharyngeal carcinoma patients after definitive radiotherapy
Authors: Zhang Sujuan , Chen Zui , Ling Jie , Feng Yuhua , Xie Yangchun , Liu Xianling , Hu Chunhong , Hou Tao
Published: March 2024

Much evidence has accumulated to show that inflammation and nutritional status are associated with the prognosis of patients with various cancers. The present study was designed to explore the prognostic role of the LANR in NPC patients receiving definitive radiotherapy and to construct a nomogram for predicting patient survival. This study retrospectively reviewed 805 NPC patients (604 in the training cohort and 201 in the validation cohort) who received definitive radiotherapy between January 2013 and December 2019. The clinical data and pretreatment laboratory test data, including lymphocyte count, neutrophil count, and serum ALB concentration, were collected for all patients. The LANR was calculated as the albumin × lymphocyte/neutrophil ratio. Patients in the training cohort and validation cohort were categorized into high-LANR and low-LANR groups according to the corresponding cutoff values. The independent prognostic factors for overall survival (OS), progression-free survival (PFS), relapse-free survival (RFS), and metastasis-free survival (MFS) were evaluated by univariate and multivariate Cox regression analyses, and a nomogram was subsequently constructed. The performance of the nomogram was evaluated by the concordance index (C-index) and calibration curve. A low LANR (< 14.3) was independently associated with worse OS, PFS and MFS in NPC patients. A prognostic prediction nomogram was established based on T stage, N stage, Eastern Cooperative Oncology Group (ECOG) score, treatment modality, and LANR and was validated. The C-indices of the nomograms for OS and PFS in the training cohort were 0.729 and 0.72, respectively. The C-indices of the nomograms for OS and PFS in the validation cohort were 0.694 and 0.695, respectively. The calibration curve revealed good consistency between the actual survival and the nomogram prediction. Patients with NPC with low pretreatment LANR had a poor prognosis. The nomogram established on the basis of the LANR was efficient and clinically useful for predicting survival in NPC patients who underwent definitive radiotherapy.
Groundwater quality assessment using water quality index and principal component analysis in the Achnera block, Agra district, Uttar Pradesh, Northern India
Authors: Ali Shahjad , Verma Sitaram , Agarwal Manish Baboo , Islam Raisul , Mehrotra Manu , Deolia Rajesh Kumar , Kumar Jitendra , Singh Shailendra , Mohammadi Ali Akbar , Raj Deep , Gupta Manoj Kumar , Dang Phuyen , Fattahi Mehdi
Published: March 2024

The qualitative and quantitative assessment of groundwater is one of the important aspects for determining the suitability of potable water. Therefore, the present study has been performed to evaluate the groundwater quality for Achhnera block in the city of Taj, Agra, India, where groundwater is an important water resource. The groundwater samples, 50 in number were collected and analyzed for major ions along with some important trace element. This study has further investigated for the applicability of groundwater quality index (GWQI), and the principal component analysis (PCA) to mark out the major geochemical solutes responsible for origin and release of geochemical solutes into the groundwater. The results confirm that, majority of the collected groundwater samples were alkaline in nature. The variation of concentration of anions in collected groundwater samples were varied in the sequence as, HCO3− > Cl− > SO42− > F−while in contrast the sequence of cations in the groundwater as Na > Ca > Mg > K. The Piper diagram demonstrated the major hydro chemical facies which were found in groundwater (sodium bicarbonate or calcium chloride type). The plot of Schoellar diagram reconfirmed that the major cations were Na+and Ca2+ions, while in contrast; major anions were bicarbonates and chloride. The results showed water quality index mostly ranged between 105 and 185, hence, the study area fell in the category of unsuitable for drinking purpose category. The PCA showed pH, Na+, Ca2+, HCO3−and fluoride with strong loading, which pointed out geogenic source of fluoride contamination. Therefore, it was inferred that the groundwater of the contaminated areas must be treated and made potable before consumption. The outcomes of the present study will be helpful for the regulatory boards and policymaker for defining the actual impact and remediation goal.
Computer programmers show distinct, expertise-dependent brain responses to violations in form and meaning when reading code
Authors: Kuo Chu-Hsuan , Prat Chantel S.
Published: March 2024

As computer programming becomes more central to the workforce, the need for better models of how it is effectively learned has become more apparent. The current study addressed this gap by recording electrophysiological brain responses as 62 Python programmers with varying skill levels read lines of code with manipulations of form (syntax) and meaning (semantics). At the group level, results showed that manipulations of form resulted in P600 effects, with syntactically invalid code generating more positive deflections in the 500–800 ms range than syntactically valid code. Meaning manipulations resulted in N400 effects, with semantically implausible code generating more negative deflections in the 300–500 ms range than semantically plausible code. Greater Python expertise within the group was associated with greater sensitivity to violations in form. These results support the notion that skilled programming, like skilled natural language learning, is associated with the incorporation of rule-based knowledge into online comprehension processes. Conversely, programmers at all skill levels showed neural sensitivity to meaning manipulations, suggesting that reliance on pre-existing semantic relationships facilitates code comprehension across skill levels.
Unlocking the potential of smartphone and ambient sensors for ADL detection
Authors: Stojchevska Marija , De Brouwer Mathias , Courteaux Martijn , Steenwinckel Bram , Van Hoecke Sofie , Ongenae Femke
Published: March 2024

The detection of Activities of Daily Living (ADL) holds significant importance in a range of applications, including elderly care and health monitoring. Our research focuses on the relevance of ADL detection in elderly care, highlighting the importance of accurate and unobtrusive monitoring. In this paper, we present a novel approach that that leverages smartphone data as the primary source for detecting ADLs. Additionally, we investigate the possibilities offered by ambient sensors installed in smart home environments to complement the smartphone data and optimize the ADL detection. Our approach uses a Long Short-Term Memory (LSTM) model. One of the key contributions of our work is defining ADL detection as a multilabeling problem, allowing us to detect different activities that occur simultaneously. This is particularly valuable since in real-world scenarios, individuals can perform multiple activities concurrently, such as cooking while watching TV. We also made use of unlabeled data to further enhance the accuracy of our model. Performance is evaluated on a real-world collected dataset, strengthening reliability of our findings. We also made the dataset openly available for further research and analysis. Results show that utilizing smartphone data alone already yields satisfactory results, above 50% true positive rate and balanced accuracy for all activities, providing a convenient and non-intrusive method for ADL detection. However, by incorporating ambient sensors, as an additional data source, one can improve the balanced accuracy of the ADL detection by 7% and 8% of balanced accuracy and true positive rate respectively, on average.
Intergenerational continuity of loneliness and potential mechanisms: Young Finns Multigenerational Study
Authors: Elovainio Marko , Komulainen Kaisla , Hakulinen Christian , Pahkala Katja , Rovio Suvi , Hutri Nina , Raitakari Olli T. , Pulkki-Råback Laura
Published: March 2024

Evidence on the intergenerational continuity of loneliness and on potential mechanisms that connect loneliness across successive generations is limited. We examined the association between loneliness of (G0) parents (859 mothers and 570 fathers, mean age 74 years) and their children (G1) (433 sons and 558 daughters, mean age 47 years) producing 991 parent–offspring pairs and tested whether these associations were mediated through subjective socioeconomic position, temperament characteristics, cognitive performance, and depressive symptoms. Mean loneliness across parents had an independent effect on their adult children’s experienced loneliness (OR = 1.72, 95% CI 1.23–2.42). We also found a robust effect of mothers’ (OR = 1.64, 95% CI 1.17–2.29), but not of fathers’ loneliness (OR = 1.47, 95% CI 0.96–2.25) on offspring’s experienced loneliness in adulthood. The associations were partly mediated by offspring depressive (41–54%) and anxiety (29–31%) symptoms. The current findings emphasize the high interdependence of loneliness within families mediated partly by offspring’s mental health problems.
Lack of telomerase reduces cancer incidence and increases lifespan of zebrafish tp53M214K mutants
Authors: Şerifoğlu Naz , Lopes-Bastos Bruno , Ferreira Miguel Godinho
Published: March 2024

Telomerase activity is restricted in humans and telomere attrition occurs in several tissues accompanying natural aging. Critically short telomeres trigger DNA damage responses and activate p53 which leads to apoptosis or replicative senescence. These processes reduce cell proliferation and disrupt tissue homeostasis, thus contributing to systemic aging. Similarly, zebrafish have restricted telomerase expression, and telomeres shorten to critical length during their lifespan. Telomerase-deficient zebrafish (tert −/−) is a premature model of aging that anticipates aging phenotypes due to early telomere shortening. tert −/− zebrafish have impaired cell proliferation, accumulation of DNA damage markers and p53 response. These cellular defects lead to disruption of tissue homeostasis, resulting in premature infertility, gastrointestinal atrophy, sarcopenia and kyphosis. Such consequences contribute to its premature death. Here we reveal a genetic interdependence between tp53 and telomerase function. Mutation of tp53 abrogates premature aging of tert −/− zebrafish, prolonging male fertility and lifespan. However, it does not fully rescue healthspan. tp53mut tert −/− zebrafish retain high levels of inflammation and increased spontaneous cancer incidence. Conversely, loss of telomerase prolongs the lifespan of tp53mut single mutants. Lack of telomerase reduces two-fold the cancer incidence in double mutants and increases lifetime survival. Thus, we observe a reciprocal rescue of tp53mut and tert −/− that ameliorates lifespan but not spontaneous cancer incidence of tp53mut, likely due to higher levels of inflammation.
Brain volume measured by synthetic magnetic resonance imaging in adult moyamoya disease correlates with cerebral blood flow and brain function
Authors: Kikuchi Kazufumi , Togao Osamu , Yamashita Koji , Isoda Takuro , Nishimura Ataru , Arimura Koichi , Nakamizo Akira , Yoshimoto Koji , Ishigami Kousei
Published: March 2024

Moyamoya disease (MMD) is characterized by progressive arterial occlusion, causing chronic hemodynamic impairment, which can reduce brain volume. A novel quantitative technique, synthetic magnetic resonance imaging (SyMRI), can evaluate brain volume. This study aimed to investigate whether brain volume measured with SyMRI correlated with cerebral blood flow (CBF) and brain function in adult MMD. In this retrospective study, 18 adult patients with MMD were included. CBF was measured using iodine-123-N-isopropyl-p-iodoamphetamine single photon emission computed tomography. Cerebrovascular reactivity (CVR) to acetazolamide challenge was also evaluated. Brain function was measured using the Wechsler Adult Intelligence Scales (WAIS)-III/IV and the WAIS-R tests. Gray matter (GM), white matter, and myelin-correlated volumes were evaluated in six areas. Resting CBF was positively correlated with GM fractions in the right anterior cerebral arterial and right middle cerebral arterial (MCA) territories. CVR was positively correlated with GM fraction in the right posterior cerebral arterial (PCA) territory. Full-Scale Intelligence Quotient and Verbal Comprehension Index scores were marginally positively correlated with GM fractions in the left PCA territory. Processing Speed Index score was marginally positively correlated with GM fraction in the right MCA territory. The SyMRI-measured territorial GM fraction correlated with CBF and brain function in patients with MMD.