bluuebunny/crossref_metadata_2025 huggingface dataset:
Reflections and Thoughts on the Future of Science From AGU Hydrology Section Fellows
Authors: Tyler Scott W. , Kent Jennifer , Anderson Suzanne P. , Brooks Paul D. , Packman Aaron I. , Uijlenhoet Remko , Western Andrew W. , Zeng Xubin
Published: June 2023

At the inaugural Frontiers in Hydrology Meeting in San Juan, Puerto Rico in the summer of 2022, the Hydrology Section organized a poster session and invited our 2020 and 2021 Classes of AGU Fellows, with the initial goal of both celebrating their careers as well as to provide an opportunity for an informal exchange and connection between the section's early career members and our more senior and established scientists and engineers. Due to the challenges of time zones, virtual poster presentations and other logistics, the formal poster session was adjourned but continued as a hybrid “meet‐up” with six of our Section's Fellows (Suzanne Anderson, Paul Brooks, Aaron Packman, Remko Uijlenhoet, Andrew Western, and Xubin Zeng) from around the world. As you will see, what started as an informal chat quickly took deep dives into pressing issues in our section and science in general, including thoughts on how our community values (or in some cases doesn't value) multi‐ and interdisciplinary accomplishments, critiques of our system of rewards and awards including how we assess publication impacts and finally, a frank and honest discussion of our current efforts to diversify our community and where/why are we still failing. We hope that by sharing this open and impromptu dialogue that these discussions can expand to our entire community, and to encourage future Fellows exchanges such as this to reach our entire community of scientists and engineers.
Modeling the Complete Nitrogen and Oxygen Isotopic Imprint of Nitrate Photolysis in Snow
Authors: Shi Guitao , Buffen Aron M. , Hu Ye , Chai Jiajue , Li Yilan , Wang Danghe , Hastings Meredith G.
Published: June 2023

Snow nitrate is vulnerable to photolytic loss that causes isotopic alteration, and thus its isotopes can potentially track the extent of snow nitrate photolysis and its impacts in environments where loss is significant. Large increases in δ15N‐NO3− below the snow surface have been attributed to photolysis and this behavior is generally consistent amongst theoretical as well as lab and field studies. Oxygen isotope ratios are thought to be influenced by photolysis as well as secondary condensed‐phase chemistry, but the competing effects have yet to be reconciled. Here we use a model that simulates nitrate burial, photolytic fractionation, and re‐oxidation in snow to quantitatively assess these processes with the aim of developing a consistent framework for interpreting the photolytic effects of the complete nitrate isotopic composition (δ15N, δ18O, and Δ17O). This study reveals that isotopic effects of nitrate photolysis and aqueous‐phase re‐oxidation chemistry are important sources of uncertainties in modeling δ18O‐NO3−.
FBXO7, a tumor suppressor in endometrial carcinoma, suppresses INF2-associated mitochondrial division
Authors: Zhang Hui , Zhao Yiting , Wang Jie , Li Jinyun , Xia Jingyi , Lin Yan , Zhong Yeling , Cao Xinyi , Jin Jiabei , Li Xinming , Yang Weili , Ye Meng , Jin Xiaofeng
Published: June 2023

Endometrial carcinoma (ECa) is the most common malignant gynecological cancer, with an increased incidence and fatality rate worldwide, while the pathogenesis is still largely unknown. In this study, we confirmed that FBXO7, a gene coding FBXO7 E3 ubiquitin ligase, is significantly downregulated and mutated (5.87%; 31/528) in ECa specimens, and the abnormal low expression and mutations of FBXO7 are associated with the occurrence of ECa. We also identify the excessive expression of INF2 protein, a key factor that triggers mitochondrial division by recruiting the DRP1 protein, and the elevated INF2 protein is significantly negatively correlated with the low FBXO7 protein in ECa specimens. Mechanistically, FBXO7 restrains ECa through inhibiting INF2-associated mitochondrial division via FBXO7-mediated ubiquitination and degradation of INF2. Moreover, we found that ECa-associated FBXO7 mutants are defective in the ubiquitination and degradation of INF2, promoting ECa cells proliferation, migration and apoptosis inhibition via inducing mitochondrial hyper-division. In addition, we found that it could reverse FBXO7 deletion or ECa-associated FBXO7 mutants-induced proliferation, migration, apoptosis inhibition and mitochondrial hyper-division of ECa cells by INF2 or DNM1L knockdown, or DRP1 inhibitor Mdivi-1. In summary, our study shows that FBXO7 acts as a novel tumor suppressor in ECa by inhibiting INF2-DRP1 axis-associated mitochondrial division through the ubiquitination and degradation of INF2 while the effect is destroyed by ECa-associated FBXO7 and INF2 mutants, highlights the key role of FBXO7-INF2-DRP1 axis in ECa tumorigenesis and provides a new viewpoint to treat ECa patients with FBXO7 deletion or mutations by targeting INF2-DRP1 axis-associated mitochondrial division.
The dual role of ferroptosis in anthracycline-based chemotherapy includes reducing resistance and increasing toxicity
Authors: Zhao Jiazheng , Zhang Ning , Ma Xiaowei , Li Ming , Feng Helin
Published: June 2023

In conjunction with previous studies, we have noted that ferroptosis, as an emerging mode of regulated cell death (RCD), is intimately related to anthracycline pharmacotherapy. Not only does ferroptosis significantly modulate tumour resistance and drug toxicity, which are core links of the relevant chemotherapeutic process, but it also appears to play a conflicting role that has yet to be appreciated. By targeting the dual role of ferroptosis in anthracycline-based chemotherapy, this review aims to focus on the latest findings at this stage, identify the potential associations and provide novel perspectives for subsequent research directions and therapeutic strategies.
A survey of genetic and palliative care health professionals’ views of integrating genetics into palliative care
Authors: White Stephanie , Turbitt Erin , Rogers Kris , Tucker Kathy , McEwen Alison , Best Megan , Phillips Jane L. , Jacobs Chris
Published: June 2023

Genetic counselling and testing have utility for people with palliative care needs and their families. However, genetic and palliative care health professionals have described difficulties initiating palliative-genetic discussions. Between March and July 2022, we received n = 73 surveys (6% response rate) from genetic and palliative care health professionals in Australia and New Zealand that assessed and compared barriers and facilitators. The main perceived barrier to both groups was palliative care health professionals’ lack of genetic knowledge (44%). Most palliative care health professionals were ‘not at all confident’ performing several activities, including discussing DNA banking (52%) and knowing their legal responsibilities when sharing genetic information (58%). The most frequently selected facilitator for genetic health professionals was fostering close relationships with palliative care health professionals (52%), while palliative care health professionals indicated a genetic referral template (51%) would be of assistance. Almost all participants agreed genetic discussions do not undermine the central ethos of palliative care (87%). Fewer palliative care health professionals considered themselves well situated to have genetic discussions with a palliative patient’s family compared to genetic health professionals (p = 0.014). Our results suggest that genetic and palliative care health professionals support integrating genetics into palliative care, although refinement of the palliative care health professionals’ role in this process is required. We have identified intervention targets to overcome barriers related to knowledge and confidence, which ought to be integrated into future interventions designed to support health professionals deliver the benefits of genetic information to people with palliative care needs and their families.
Range-separated hybrid functionals for accurate prediction of band gaps of extended systems
Authors: Yang Jing , Falletta Stefano , Pasquarello Alfredo
Published: June 2023

In this work, we systematically evaluate the accuracy in band gap prediction of range-separated hybrid functionals on a large set of semiconducting and insulating materials and carry out comparisons with the performance of their global counterparts. We observe that all the range-separated hybrid functionals that correctly describe the long-range dielectric screening significantly improve upon standard hybrid functionals such as PBE0 and HSE06. The choice of the short-range Fock exchange fraction and the screening length can further reduce the predicted error. We then propose a universal expression for the selection of the inverse screening parameter as a function of the short-range and long-range Fock exchange fractions, which results in a mean absolute error as small as 0.15 eV for band gap prediction.
Microbial applications for sustainable space exploration beyond low Earth orbit
Authors: Koehle Allison P. , Brumwell Stephanie L. , Seto Emily P. , Lynch Anne M. , Urbaniak Camilla
Published: June 2023

With the construction of the International Space Station, humans have been continuously living and working in space for 22 years. Microbial studies in space and other extreme environments on Earth have shown the ability for bacteria and fungi to adapt and change compared to “normal” conditions. Some of these changes, like biofilm formation, can impact astronaut health and spacecraft integrity in a negative way, while others, such as a propensity for plastic degradation, can promote self-sufficiency and sustainability in space. With the next era of space exploration upon us, which will see crewed missions to the Moon and Mars in the next 10 years, incorporating microbiology research into planning, decision-making, and mission design will be paramount to ensuring success of these long-duration missions. These can include astronaut microbiome studies to protect against infections, immune system dysfunction and bone deterioration, or biological in situ resource utilization (bISRU) studies that incorporate microbes to act as radiation shields, create electricity and establish robust plant habitats for fresh food and recycling of waste. In this review, information will be presented on the beneficial use of microbes in bioregenerative life support systems, their applicability to bISRU, and their capability to be genetically engineered for biotechnological space applications. In addition, we discuss the negative effect microbes and microbial communities may have on long-duration space travel and provide mitigation strategies to reduce their impact. Utilizing the benefits of microbes, while understanding their limitations, will help us explore deeper into space and develop sustainable human habitats on the Moon, Mars and beyond.
Relaxed targeting rules help PIWI proteins silence transposons
Authors: Gainetdinov Ildar , Vega-Badillo Joel , Cecchini Katharine , Bagci Ayca , Colpan Cansu , De Dipayan , Bailey Shannon , Arif Amena , Wu Pei-Hsuan , MacRae Ian J. , Zamore Phillip D.
Published: June 2023

In eukaryotes, small RNA guides, such as small interfering RNAs and microRNAs, direct AGO-clade Argonaute proteins to regulate gene expression and defend the genome against external threats. Only animals make a second clade of Argonaute proteins: PIWI proteins. PIWI proteins use PIWI-interacting RNAs (piRNAs) to repress complementary transposon transcripts1,2. In theory, transposons could evade silencing through target site mutations that reduce piRNA complementarity. Here we report that, unlike AGO proteins, PIWI proteins efficiently cleave transcripts that are only partially paired to their piRNA guides. Examination of target binding and cleavage by mouse and sponge PIWI proteins revealed that PIWI slicing tolerates mismatches to any target nucleotide, including those flanking the scissile phosphate. Even canonical seed pairing is dispensable for PIWI binding or cleavage, unlike plant and animal AGOs, which require uninterrupted target pairing from the seed to the nucleotides past the scissile bond3,4. PIWI proteins are therefore better equipped than AGO proteins to target newly acquired or rapidly diverging endogenous transposons without recourse to new small RNA guides. Conversely, the minimum requirements for PIWI slicing are sufficient to avoid inadvertent silencing of host RNAs. Our results demonstrate the biological advantage of PIWI over AGO proteins in defending the genome against transposons and suggest an explanation for why the piRNA pathway was retained in animal evolution.
Correlation between sedentary activity, physical activity and bone mineral density and fat in America: National Health and Nutrition Examination Survey, 2011–2018
Authors: Lin Zhao , Shi Guang , Liao Xun , Huang Jingrou , Yu Mingyu , Liu Wei , Luo Xue , Zhan Hongrui , Cai Xiyu
Published: June 2023

We compared the relationship between sedentary activity (SA) and physical activity (PA) with bone mineral density (BMD) and body fat percentage in the United States and found a negative association between SA and BMD and a positive association with body fat percentage. A positive association between PA and BMD and a negative association with body fat percentage. SA and PA are associated with changes in skeletal parameters and body fat percentage, and we aimed to investigate and compare the relationship between SA, PA and bone mineral density (BMD) and body fat percentage in men and women. We assessed the relationship between SA, PA and BMD and body fat percentage in 9787 Americans aged 20–59 years (mean age 38.28 ± 11.39 years) from NHANES 2011–2018. BMD and body fat percentage were measured by dual-energy X-ray bone densitometry (DXA). We used multiple linear regression models to examine the relationships between SA, PA and lumbar spine BMD and total body fat percentage, adjusted for a large number of confounding factors. After adjusting for race/ethnicity, age, alcohol and smoking behavior, body mass index (BMI), total protein, blood calcium, blood uric acid, cholesterol, blood phosphorus, vitamin D, and blood urea nitrogen, SA was negatively associated with lumbar spine BMD (β = − 0.0011 95% CI − 0.0020 to − 0.0002, P = 0.022), and SA was positively associated with total fat percentage (β = PA was positively associated with lumbar BMD (β = 0.0046 95% CI 0.0010 to 0.0082, P = 0.012) and there was a negative association between PA and body fat percentage (β = − 1.177 95% CI − 1.326 to –1.027, P < 0.001). Our results show that physical activity is a key component of maintaining bone health in both men and women and is strongly associated with lower body fat percentages. Sedentary activity is negatively correlated with bone density and is strongly associated with an increase in body fat percentage. Healthcare policy makers should consider reducing sedentary activity and increasing physical activity when preventing osteoporosis and obesity.
Pyrethroid-treated bed nets impair blood feeding performance in insecticide resistant mosquitoes
Authors: Barreaux Priscille , Ranson Hilary , Foster Geraldine M. , McCall Philip J.
Published: June 2023

The blood feeding performance of female mosquitoes directly impacts their ability to transmit malaria. Yet their host seeking and blood feeding behaviours in the presence of insecticide-treated nets (ITNs) are still poorly understood. This work explores how both insecticide resistant and susceptible Anopheles gambiae s.l. mosquitoes interact with pyrethroid nets (PermaNet 2.0 or Olyset net) or an untreated net (UTN) while attempting to blood feed on a human arm. Regardless of mosquito resistance status, the ITNs did not efficiently prevent host searching but reduced blood feeding success by 34.1 (29.31–38.95) %. The Permanet and Olyset net reduced to 227.5 (208.19–246.77) sec and 235.9 (214.03–257.74) sec the average blood feeding duration from 369.9 (342.78–397.04) sec with the UTN. The ingested blood volume was on average 22% lower for all mosquitoes exposed to insecticide. When feeding through ITNs, the blood volume flow rate of the susceptible strain increased by 35%, but no significant difference was found in the resistant strain. Thus, whilst the presence of the insecticide in ITNs reduced mosquito blood feeding success and blood volume, the mosquito’s ability to respond by accelerating her rate of blood ingestion may further reduce the impact of ITNs on resistant mosquitoes.
Research on electromagnetic characteristics of traction motor rotary shafts with variable parameter defects based on finite element method
Authors: Song Mengmeng , Li Mengwei , Song Xiaoyan , Xiao Shungen , Jiang Feng , Huang Naiqiu
Published: June 2023

In view of the breakage of the rotary shaft of the traction motor of the locomotive, in order to ensure the reliability and safety of the equipment, this paper studies the magnetic field containing rich information in the space around the rotary shaft, so that the crack defect can be detected and the crack size can be judged in time. In order to study the influence of defect geometric parameters (width, depth and hidden depth) on the spatial magnetic field distribution around the defect in the process of eddy current testing of metal shafts, based on the principle of eddy current testing, a metal rotary shaft detection model with different defect parameters was established by COMSOL software for simulation. The horizontal magnetic induction intensity, vertical magnetic induction intensity and their respective phases are used to analyze the magnetic field distribution around the defect under different parameters. The results show that the magnetic field related parameters can qualitatively and quantitatively evaluate the crack width, qualitatively evaluate the relative size of the crack depth, and qualitatively judge whether there are hidden cracks.
Predicting merchant future performance using privacy-safe network-based features
Authors: Bahrami Mohsen , Boz Hasan Alp , Suhara Yoshihiko , Balcisoy Selim , Bozkaya Burcin , Pentland Alex
Published: June 2023

Small and Medium-sized Enterprises play a significant role in most economies by contributing to job creation and economic growth. A majority of such merchants rely on business financing, and thus, financial institutions and investors need to assess their performance before making decisions on business loans. However, current methods of predicting merchants’ future performance involve their private internal information, such as revenue and customer base, which cannot be shared without potentially exposing critical information. To address this problem, we first propose a novel approach to predicting merchants’ future performance using credit card transaction data. Specifically, we construct a merchant network, regarding customers as bridges between merchants, and extract features from the constructed network structure for prediction purposes. Our study results demonstrate that the performance of machine learning models with features extracted from our proposed network is comparable to those with conventional revenue- and customer-based features, while maintaining higher privacy levels when shared with third-party organizations. Our approach offers a practical solution to privacy concerns over data and information required for merchants’ performance prediction, enabling safe data-sharing among financial institutions and investors, helping them make more informed decisions on allocating their financial resources while ensuring that merchants’ sensitive information is kept confidential.
Transcriptomic analysis identifies novel candidates in cardiorenal pathology mediated by chronic peritoneal dialysis
Authors: Nasci Victoria L. , Liu Pengyuan , Marks Amanda M. , Williams Adaysha C. , Kriegel Alison J.
Published: June 2023

Peritoneal dialysis (PD) is associated with increased cardiovascular (CV) risk. Studies of PD-related CV pathology in animal models are lacking despite the clinical importance. Here we introduce the phenotypic evaluation of a rat model of cardiorenal syndrome in response to chronic PD, complemented by a rich transcriptomic dataset detailing chronic PD-induced changes in left ventricle (LV) and kidney tissues. This study aims to determine how PD alters CV parameters and risk factors while identifying pathways for potential therapeutic targets. Sprague Dawley rats underwent Sham or 5/6 nephrectomy (5/6Nx) at 10 weeks of age. Six weeks later an abdominal dialysis catheter was placed in all rats before random assignment to Control or PD (3 daily 1-h exchanges) groups for 8 days. Renal and LV pathology and transcriptomic analysis was performed. The PD regimen reduced circulating levels of BUN in 5/6Nx, indicating dialysis efficacy. PD did not alter blood pressure or cardiovascular function in Sham or 5/6Nx rats, though it attenuated cardiac hypertrophy. Importantly PD increased serum triglycerides in 5/6Nx rats. Furthermore, transcriptomic analysis revealed that PD induced numerous changed transcripts involved with inflammatory pathways, including neutrophil activation and atherosclerosis signaling. We have adapted a uremic rat model of chronic PD. Chronic PD induced transcriptomic changes related to inflammatory signaling that occur independent of 5/6Nx and augmented circulating triglycerides and predicted atherosclerosis signaling in 5/6Nx LV tissues. The changes are indicative of increased CV risk due to PD and highlight several pathways for potential therapeutic targets.
Tumor localization by Prostate Imaging and Reporting and Data System (PI-RADS) version 2.1 predicts prognosis of prostate cancer after radical prostatectomy
Authors: Fujimoto Ayumi , Sakamoto Shinichi , Horikoshi Takuro , Zhao Xue , Yamada Yasutaka , Rii Junryo , Takeuchi Nobuyoshi , Imamura Yusuke , Sazuka Tomokazu , Matsusaka Keisuke , Ikeda Jun-ichiro , Ichikawa Tomohiko
Published: June 2023

An improved reading agreement rate has been reported in version 2.1 (v2.1) of the Prostate Imaging and Reporting and Data System (PI-RADS) compared with earlier versions. To determine the predictive efficacy of bi-parametric MRI (bp-MRI) for biochemical recurrence (BCR), our study assessed PI-RADS v2.1 score and tumor location in Japanese prostate cancer patients who underwent radical prostatectomy. Retrospective analysis was performed on the clinical data of 299 patients who underwent radical prostatectomy at Chiba University Hospital between 2006 and 2018. The median prostate-specific antigen (PSA) level before surgery was 7.6 ng/mL. Preoperative PI-RADS v2.1 categories were 1–2, 3, 4, and 5 in 35, 56, 138, and 70 patients, respectively. Tumor location on preoperative MRI was 107 in the transition zone (TZ) and 192 in the peripheral zone (PZ). BCR-free survival was significantly shorter in the PZ group (p = 0.001). In the total prostatectomy specimens, preoperative PI-RADS category 5, radiological tumor location, pathological seminal vesicle invasion, and Grade Group ≥ 3 were independent prognostic factors of BCR. These four risk factors have significant potential to stratify patients and predict prognosis. Radiological tumor location and PI-RADS v2.1 category using bp-MRI may enable prediction of BCR following radical prostatectomy.
Making a new bromo-containing cellulosic dye with antibacterial properties for use on various fabrics using computational research
Authors: El-Shall Fatma N. , Fahim Asmaa M. , Dacrory Sawsan
Published: June 2023

The reaction of cyanoethyl cellulose with para-bromo diazonium chloride resulted in the creation of a novel bromo-containing cellulosic (MCPT). The dispersion stability of MCPT has been improved by its dispersion into 1% waterborne polyurethane acrylate (WPUA). TEM, particle size, and zeta potential were used to track the dispersion stability of aqueous MCPT and MCPT in 1% WPUA and particle size. The prepared MCPT has been utilized as a unique green colorant (dye) for the printing of cotton, polyester, and cotton/polyester blend fabrics using a silkscreen printing technique through a single printing step and one color system. Color improvement has been achieved by printing different fabrics with a printing paste of MCPT dispersed in 1% WPUA. The MCPT and MCPT in 1% WPUA printed fabrics were evaluated for rubbing, light, washing, and perspiration fastness, UV blocking activity, and antibacterial activity. These findings were established through structural optimization at the DFT/B3LYP/6-31 (G) level and simulations involving several proteins.
The impact of facial expression and communicative gaze of a humanoid robot on individual Sense of Agency
Authors: Lombardi Maria , Roselli Cecilia , Kompatsiari Kyveli , Rospo Federico , Natale Lorenzo , Wykowska Agnieszka
Published: June 2023

Sense of Agency (SoA) is the feeling of control over one’s actions and their outcomes. A well-established implicit measure of SoA is the temporal interval estimation paradigm, in which participants estimate the time interval between a voluntary action and its sensory consequence. In the present study, we aimed to investigate whether the valence of action outcome modulated implicit SoA. The valence was manipulated through interaction partner’s (i) positive/negative facial expression, or (ii) type of gaze (gaze contact or averted gaze). The interaction partner was the humanoid robot iCub. In Experiment 1, participants estimated the time interval between the onset of their action (head movement towards the robot), and the robot’s facial expression (happy vs. sad face). Experiment 2 was identical, but the outcome of participants’ action was the type of robot’s gaze (gaze contact vs. averted). In Experiment 3, we assessed—in a within-subject design—the combined effect of robot’s type of facial expression and type of gaze. Results showed that, while the robot’s facial expression did not affect participants’ SoA (Experiment 1), the type of gaze affected SoA in both Experiment 2 and Experiment 3. Overall, our findings showed that the robot’s gaze is a more potent factor than facial expression in modulating participants’ implicit SoA.
Tuning of the magnetotransport properties of a spin-polarized 2D electron system using visible light
Authors: D’Antuono Maria , Chen Yu , Caruso Roberta , Jouault Benoit , Salluzzo Marco , Stornaiuolo Daniela
Published: June 2023

We report on the effects of visible light on the low temperature electronic properties of the spin-polarized two dimensional electron system (2DES) formed at the interfaces between LaAlO$$_{3}$$

3

, EuTiO$$_{3}$$

3

and (001) SrTiO$$_{3}$$

3

. A strong, persistent modulation of both longitudinal and transverse conductivity was obtained using light emitting diodes (LEDs) with emissions at different wavelengths in the visible spectrum range. In particular, Hall effect data show that visible light induces a non-volatile electron filling of bands with mainly 3d$$_{xz,yz}$$

x
z
,
y
z

character, and at the same time an enhancement of the anomalous Hall effect associated to the magnetic properties of the system. Accordingly, a suppression of the weak-anti localization corrections to the magneto-conductance is found, which correlates with an enhancement of the spin-polarization and of the ferromagnetic character of 2DES. The results establish the LED-induced photo-doping as a viable route for the control of the ground state properties of artificial spin-polarized oxide 2DES.
Peripheral blood cellular dynamics of rheumatoid arthritis treatment informs about efficacy of response to disease modifying drugs
Authors: Hedman Åsa K. , Winter Eitan , Yoosuf Niyaz , Benita Yair , Berg Louise , Brynedal Boel , Folkersen Lasse , Klareskog Lars , Maciejewski Mateusz , Sirota-Madi Alexandra , Spector Yael , Ziemek Daniel , Padyukov Leonid , Shen-Orr Shai S. , Jelinsky Scott A.
Published: June 2023

Rheumatoid arthritis (RA) is an autoimmune disease characterized by systemic inflammation and is mediated by multiple immune cell types. In this work, we aimed to determine the relevance of changes in cell proportions in peripheral blood mononuclear cells (PBMCs) during the development of disease and following treatment. Samples from healthy blood donors, newly diagnosed RA patients, and established RA patients that had an inadequate response to MTX and were about to start tumor necrosis factor inhibitors (TNFi) treatment were collected before and after 3 months of treatment. We used in parallel a computational deconvolution approach based on RNA expression and flow cytometry to determine the relative cell-type frequencies. Cell-type frequencies from deconvolution of gene expression indicate that monocytes (both classical and non-classical) and CD4+cells (Th1 and Th2) were increased in RA patients compared to controls, while NK cells and B cells (naïve and mature) were significantly decreased in RA patients. Treatment with MTX caused a decrease in B cells (memory and plasma cell), and a decrease in CD4 Thcells (Th1 and Th17), while treatment with TNFi resulted in a significant increase in the population of B cells. Characterization of the RNA expression patterns found that most of the differentially expressed genes in RA subjects after treatment can be explained by changes in cell frequencies (98% and 74% respectively for MTX and TNFi).
Synthesis and numerical simulation of formamidinium-based perovskite solar cells: a predictable device performance at NIS-Egypt
Authors: Elsayed Moamen R. A. , Elseman Ahmed Mourtada , Abdelmageed Alaaeldin A. , Hashem H. M. , Hassen A.
Published: June 2023

Formamidinium lead triiodide (δ-FAPbI3)-based perovskite solar cells showed remarkable potential as light harvesters for thin-film photovoltaics. Herein, the mechanochemical synthesis of δ-FAPbI3, MAPbI3, and mixed-cation FA1−xMAxPbI3 with (x = 0.3, 0.5, and 0.7) perovskite materials were prepared as a novel green chemistry method for scaling up production. Crystallinity, phase identification, thermal stability, optoelectronic properties, and nanoscale composition are discussed. The results demonstrated that the prepared mixed-cation samples are enhanced in the visible absorption region and are consistent with previous works. The crystal structure of δ-FAPbI3 was altered to a cubic structure due to the change in FA-cation. Moreover, the performance of $$\delta$$
δ
-FA-based perovskites was investigated using the Solar Cell Capacitance Simulator (SCAPS-1D) software. The validity of the device simulation was confirmed by comparing it to real-world devices. The photovoltaic characteristics and impact of absorber thickness on device performance were explained. The $$\delta$$
δ
-FA-based solar cell with a 50% MA-doped molar ratio shows a better performance with an efficiency of 26.22% compared to 8.43% for δ-FAPbI3. The outcome results of this work confirm the beneficial effect of mixed cations on device operation and advance our knowledge of the numerical optimization of perovskite-based solar cells.
In silico mutagenesis-based designing of oncogenic SHP2 peptide to inhibit cancer progression
Authors: Shahab Muhammad , Khan Shahin Shah , Zulfat Maryam , Bin Jardan Yousef A. , Mekonnen Amare Bitew , Bourhia Mohammed , Zheng Guojun
Published: June 2023

Cancer is among the top causes of death, accounting for an estimated 9.6 million deaths in 2018, it appeared that approximately 500,000 people die from cancer in the United States alone annually. The SHP2 plays a major role in regulation of cell growth, proliferation, and differentiation, and functional upregulation of this enzyme is linked to oncogenesis and developmental disorders. SHP2 activity has been linked to several cancer types for which no drugs are currently available. In our study, we aimed to design peptide inhibitors against the SHP2 mutant. The crystal structure of the human Src SH2-PQpYEEIPI peptide mutant was downloaded from the protein databank. We generated several peptides from the native wild peptide using an in silico mutagenesis method, which showed that changes (P302W, Y304F, E306Q, and Q303A) might boost the peptide's affinity for binding to SHP2. Furthermore, the dynamical stability and binding affinities of the mutated peptide were confirmed using Molecular dynamics simulation and Molecular Mechanics with Generalized Born and Surface Area Solvation free energy calculations. The proposed substitution greatly enhanced the binding affinity at the residue level, according to a study that decomposed energy into its component residues. Our proposed peptide may prevent the spread of cancer by inhibiting SHP2, according to our detailed analyses of binding affinities.
Into the void: ECM fungal communities involved in the succession from rockroses to oak stands
Authors: Sanz-Benito Ignacio , Stadler Tim , Mediavilla Olaya , Hernández-Rodríguez María , Oria-de-Rueda Juan Andrés , Dejene Tatek , Geml József , Martín-Pinto Pablo
Published: June 2023

Oak forests accompanied byCistusspecies are a common landscape in the Mediterranean basin. It is argued thatCistusdominated fields serve as recruitment areas forQuercusseedlings, as they help in the transmission of the fungal community through vegetative succession in these ecosystems. To test these assumptions, we analyzed the fungal community in terms of its richness and composition, taking into account the effects of host (Oaksvs.Cistus) and forest structure, mainly based on age. Edaphic variables related to the different structures were also analyzed to examine how they evolve through succession and relate to shifts in the fungal community. No differences in fungal richness were observed between oldCistusstands and youngerQuercus, while a brief increase in ECM richness was observed. Community composition also showed a greater overlap between oldCistusand youngQuercusstands. We suggest that the most important step in fungal transfer from one host to another is the shift from the oldestCistusfields to the youngestQuercusstands, with the generaAmanita,Cortinarius,Lactarius,Inocybe,Russula, andTomentellaprobably playing a major role. In summary, our work has also revealed the network of fungal community structure in the succession ofCistusto Oak stands, it would suggest that the fungi share niches and significantly enhance the ecological setting of the transition fromCistustoOakstands.
Characterizing and demonstrating the role of Klebsiella SSN1 exopolysaccharide in osmotic stress tolerance using neutron radiography
Authors: Sharma Sheetal , Roy Tushar , Kashyap Yogesh , Buck Martin , Schumacher Jorg , Goswami Dweipayan , Gang Shraddha , Saraf Meenu
Published: June 2023

Exopolysaccharides (EPS) are organic macromolecules naturally secreted by many microorganisms. EPS is increasingly used for agriculture and industrial purposes. This study focuses on isolate Klebsiella pneumonia SSN1, Klebsiella quasipeumonniae SGM81 isolated from rhizosphere to explore its water retention efficiency under drought conditions. Neutron Radiography was used to visualise water distribution in the sand under normal and drought conditions in the presence and absence of EPS producing bacteria. The EPS production was studied by applying Box Behnken design (BBD) under drought stress which was artificially induced by using polyethene glycol 6000 under osmotic stress condition 3.65% w/v of EPS dry weight was obtained. The relative water content (RWC) is used to calculate the amount of water present in the sand and was further studied by Neutron Radiography imaging with appropriate controls. FTIR and HPLC were also carried out for the characterisation of the extracted EPS. The sand experiments revealed that after 24 h of evaporation, the highest RWC was maintained by SSN1 at 29.7% compared to SGM81 (19.06%). SSN1 was found to release L-arabinose as the main sugar of its EPS under drought stress conditions by HPLC method. The FTIR data indicated the presence of β-glucans and polysaccharide α-pyranose between wavenumber 700 cm−1–1500 cm−1 and 1017 cm−1–1200 cm−1 respectively. The HPLC characterization of extracted EPS from osmotic stressed cells (run 3) displayed a peak designated to L-arabinose at 10.3 retention time (RT) for 132.4 mM concentration. While from run 5 with the controlled condition indicated the presence of L-rhamnose at 7.3 RT for 87 mM concentration. Neutron radiography enables the visualisation of water distribution in the sand as well as water transport in root-soil systems in situ. SSN1 has elicited EPS production in drought conditions with a low level of nitrogen and carbon.
Identifying the regional drivers of influenza-like illness in Nova Scotia, Canada, with dominance analysis
Authors: Aydede Yigit , Ditzen Jan
Published: June 2023

The spread of viral pathogens is inherently a spatial process. While the temporal aspects of viral spread at the epidemiological level have been increasingly well characterized, the spatial aspects of viral spread are still understudied due to a striking absence of theoretical expectations of how spatial dynamics may impact the temporal dynamics of viral populations. Characterizing the spatial transmission and understanding the factors driving it are important for anticipating local timing of disease incidence and for guiding more informed control strategies. Using a unique data set from Nova Scotia, Canada, the objective of this study is to apply a new novel method that recovers a spatial network of the influenza-like viral spread where the regions in their dominance are identified and ranked. We, then, focus on identifying regional predictors of those dominant regions. Our analysis uncovers 18 key regional drivers among 112 regions, each distinguished by unique community-level vulnerability factors such as demographic and economic characteristics. These findings offer valuable insights for implementing targeted public health interventions and allocating resources effectively.
A systematic approach to deep learning-based nodule detection in chest radiographs
Authors: Behrendt Finn , Bengs Marcel , Bhattacharya Debayan , Krüger Julia , Opfer Roland , Schlaefer Alexander
Published: June 2023

Lung cancer is a serious disease responsible for millions of deaths every year. Early stages of lung cancer can be manifested in pulmonary lung nodules. To assist radiologists in reducing the number of overseen nodules and to increase the detection accuracy in general, automatic detection algorithms have been proposed. Particularly, deep learning methods are promising. However, obtaining clinically relevant results remains challenging. While a variety of approaches have been proposed for general purpose object detection, these are typically evaluated on benchmark data sets. Achieving competitive performance for specific real-world problems like lung nodule detection typically requires careful analysis of the problem at hand and the selection and tuning of suitable deep learning models. We present a systematic comparison of state-of-the-art object detection algorithms for the task of lung nodule detection. In this regard, we address the critical aspect of class imbalance and and demonstrate a data augmentation approach as well as transfer learning to boost performance. We illustrate how this analysis and a combination of multiple architectures results in state-of-the-art performance for lung nodule detection, which is demonstrated by the proposed model winning the detection track of the Node21 competition. The code for our approach is available at https://github.com/FinnBehrendt/node21-submit.
Physicochemical parameters, sensory profile and concentration of volatile compounds and anthocyanins in beers brewed using potato variety with purple flesh
Authors: Gasiński Alan , Kawa-Rygielska Joanna , Kita Agnieszka , Kucharska Alicja
Published: June 2023

In the recent years, beer brewers are experimenting with using various substrates, other than traditional barley malt, water, hops, and yeast for beer production, because new adjuncts to the beer brewing can add new sensory and functional properties to this beverage. Novel potatoes with purple or red-colour flesh are a good and cheap starch source and are rich in bioactive components, which could increase the nutritive value of the produced beer. The aim of the study was to determine whether some part of barley malt can be replaced by the potatoes of purple-colour flesh and assessment of properties of such beer. Beer samples showed increased antioxidant activity, higher concentration of anthocyanins and polyphenol compounds, as well as modified composition of volatiles and lower ethanol content. Beer produced with the addition of 30% of purple potatoes showed acceptable organoleptic qualities in the sensory analysis.
Identification of key biomarkers and related immune cell infiltration in cervical cancer tissue based on bioinformatics analysis
Authors: Zhu Guang , Xiong Zhihui , Chen Wenzeng , Zhu Zhen , Wang Wei
Published: June 2023

Cervical cancer (CC) is the most common gynecological malignant tumor. Immunotherapy has become a new model for the treatment of CC, especially advanced and recurrent cancer. At present, many studies are exploring the safety and efficacy of immunotherapy for advanced or recurrent CC. In this study, CIBERSORT was used to analyze the immune cell infiltration in CC patients, to evaluate the proportion of immune cell types in CC samples, to quantify the cell composition of the immune response, and to analyze its prognostic value. The expression profile datasets of CC were downloaded from the GEO. The differentially expressed genes (DEGs) between CC and normal cervical tissues were identified via R software (version 4.1.1), and their functions and pathways were enriched and analyzed. A protein–protein interaction network was constructed to screen the hub gene. Immune cell infiltration in CC was analyzed via scientific reverse convolution algorithm (CIBERSORT), and the hub gene was analyzed via survival analysis to screen the diagnostic biomarkers of CC. A total of 144 DEGs and 12 hub genes were identified. DEGs are mainly involved in molecular functions such as serine-peptidase activity, serine-hydrolase activity, and chemokine activity. The enrichment pathway is closely related to the interaction between viral proteins and cytokines and cytokine receptors, the interleukin 17 signaling pathway, and chemokine signaling pathway. The immune cell infiltration analysis showed that T cells were the main infiltrating immune cells in CC, especially T cells CD8+ and CD4+ . The survival analysis of the hub gene showed that CEP55, MCM2, RFC4, and RRM2 had high diagnostic value. CEP55, MCM2, RFC4, and RRM2 can be used as diagnostic markers for CC. CD8+ and CD4+ T cells are closely related to the occurrence and development of CC.
Winter heavy precipitation events over Northern Europe modulated by a weaker NAO variability by the end of the 21st century
Authors: Fuentes-Franco Ramón , Docquier David , Koenigk Torben , Zimmermann Klaus , Giorgi Filippo
Published: June 2023

We use an ensemble of models participating in the Coupled Model Intercomparison Project phase 6 (CMIP6) to analyse the number of days with extreme winter precipitation over Northern Europe and its relationship to the North Atlantic Oscillation (NAO), for the historical period 1950–2014 and two future 21st-century scenarios. Here we find that over Northern Europe, the models project twice more extreme precipitation days by the end of the 21st century under the high-emission scenario compared to the historical period. We also find a weakening of the NAO variability in the second half of the 21st century in the high greenhouse gas emission scenario compared to the historical period, as well as an increasing correlation between extreme winter precipitation events and the NAO index in both future scenarios. Models with a projected decrease in the NAO variability across the 21st century show a positive trend in the number of days with extreme winter precipitation over Northern Europe. These results highlight the role played by NAO in modulating extreme winter precipitation events.
Rapid detection of chemical oxygen demand, pH value, total nitrogen, total phosphorus, and ammonia nitrogen in biogas slurry by near infrared spectroscopy
Authors: Qiu Jialing , Guo Hairong , Xue Yinghao , Liu Qingyu , Xu Zhiyu , He Li
Published: June 2023

Effective treatment of sewage requires accurate measurement of important water quality parameters, such as chemical oxygen demand (COD), pH value, total nitrogen (TN), total phosphorus (TP), and ammonia nitrogen (NH3-N).
Palladium metallene for nitric oxide electroreduction to ammonia
Authors: Zhang Ying , Xiang Jiaqi , Chen Kai , Guo Yali , Ma Dongwei , Chu Ke
Published: June 2023

Pd metallene has been demonstrated as an efficient catalyst for electrocatalytic NO reduction to NH3(NO3RR), attributed to the hcp site of Pd to effectively activate and hydrogenate NO through a mixed pathway with a low energy barrier.
First-principles design of nanostructured electrode materials for Na-ion batteries: challenges and perspectives
Authors: Massaro Arianna , Fasulo Francesca , Pecoraro Adriana , Langella Aniello , Muñoz-García Ana B. , Pavone Michele
Published: June 2023

This perspective highlights the role of first-principles approaches in the development and optimization of electrode materials for Na-ion battery devices.
Flexible MA2Z4 (M = Mo, W; A = Si, Ge and Z = N, P, As) monolayers with outstanding mechanical, dynamical, electronic, and piezoelectric properties and anomalous dynamic polarization
Authors: Wang Xinxin , Ju Weiwei , Wang Dandan , Li Xiaohong , Wan Jianguo
Published: June 2023

We systematically investigate the mechanical, dynamical, and piezoelectric properties of MA2Z4 monolayers (M = Mo, W; A = Si, Ge and Z = N, P, As) based on first-principles calculations.
Spin–vibronic mechanism at work in a luminescent square-planar cyclometalated tridentate Pt(ii) complex: absorption and ultrafast photophysics
Authors: Mandal Souvik , Daniel Chantal
Published: June 2023

Ultrafast sub-ps decay of a luminescent square planar Pt(ii) complex driven by a spin–vibronic mechanism via a ligand-centered “reservoir” state.
Kink distortion of the pseudo-S4 axis in pseudotetrahedral [N2O2] bis-chelate cobalt(ii) single-ion magnets leads to increased magnetic anisotropy
Authors: Lima Sudhir , Pohle Maximilian H. , Böhme Michael , Görls Helmar , Lohmiller Thomas , Schnegg Alexander , Dinda Rupam , Plass Winfried
Published: June 2023

Unusual structural distortion affects magnetic anisotropy of cobalt(ii) ions in bis-chelate complexes.
Promotion of the start-up of the anammox reactor with exogenous boron
Authors: Yu Huarong , Zhong Ling , Chu Zhaorui , Wu Guirong , Yang Haiyang , Rong Hongwei , Qu Fangshu
Published: June 2023

In this study, boron, an essential element of interspecies quorum sensing (QS) signals, was first proposed to enhance the start-up of the anaerobic ammonium oxidation (anammox) process.
DROP and READ: a paper-based device combined with portable readout for ABO, Rh (D, C, c, E, e) and Mia phenotyping
Authors: Chomean Sirinart , Tantaworrasilp Apicit , Bunnun Pished , Na-nan Napasorn , Prasert Kasama , Kaset Chollanot
Published: June 2023

DROP and READ device, a PAD that is combined with portable readouts for e ABO, Rh and Mia antigens typing, was created using a Raspberry Pi 4, a camera, LEDs, and an LCD touch screen. It would enable antigen-negative compatible blood to be provided to alloimmunized patients.
Tunable-wavelength nanosecond laser tailoring of plasmon resonance spectra of gold nanoparticle colloids
Authors: Sukmanee Thanyada , Szuster Michał , Gorski Aleksander , Hołdyński Marcin , Gawinkowski Sylwester
Published: June 2023

Adjusting the extinction spectra of gold nanorods has been accomplished using photothermal reshaping induced by tuneable nanosecond laser irradiation. The spectral position and width of band can be fine-tuned by irradiating it on both sides.
rGO supported CuMoO4 nanoparticles: synthesis, characterization, and electrocatalytic oxygen evolution reaction
Authors: Ahmed Jahangeer , Ahamad Tansir , Alshehri Saad M
Published: June 2023

Reduced graphene oxide supported CuMoO4 nanoparticles (CuMoO4 NPs@rGO nanocomposites) were used in electrochemical water splitting reactions.