bluuebunny/crossref_metadata_2025 huggingface dataset:
Mapping 2‐D Bedload Rates Throughout a Sand‐Bed River Reach From High‐Resolution Acoustical Surveys of Migrating Bedforms
Authors: Le Coz Jérôme , Perret Emeline , Camenen Benoît , Topping David J. , Buscombe Daniel D. , Leary Kate C. P. , Dramais Guillaume , Grams Paul E.
Published: November 2022

This paper introduces a method for determining spatially‐distributed, 2‐D bedload rates using repeat, high‐resolution surveys of the bed topography. As opposed to existing methods, bedform parameters and bedload rates are computed from bed elevation profiles interpolated along the local bedform velocities. The bedform velocity fields are computed applying Large‐Scale Particle Image Velocimetry, initially developed for surface velocity measurements, to pairs of successive Digital Elevation Models (DEMs). The bathymetry data are interpolated along the direction of each bedform velocity and the mean height of the closest bedform is computed. The dune shape factor is also evaluated along each bedform direction of travel. The local bedload fluxes can be computed by multiplying the bedform velocity by its mean height averaged over the successive two DEMs, and they can be time‐averaged over a series of DEM pairs. This method is applied to a high‐resolution acoustical survey of an approximately 300 m long by 40 m wide reach of the Colorado River in Grand Canyon upstream from Diamond Creek, USA. The repeat period was about 6–10 min and bed elevation was interpolated every 0.25 m. The obtained results provide insight to the spatial and temporal variability of bedload rates, bedform parameters and bedload fluxes through cross‐sections. The method can be applied to other repeated acoustical surveys of river reaches provided that the space and time resolutions are high enough to capture the local movement of bedforms.
The Hippo signalling pathway and its implications in human health and diseases
Authors: Fu Minyang , Hu Yuan , Lan Tianxia , Guan Kun-Liang , Luo Ting , Luo Min
Published: November 2022

As an evolutionarily conserved signalling network, the Hippo pathway plays a crucial role in the regulation of numerous biological processes. Thus, substantial efforts have been made to understand the upstream signals that influence the activity of the Hippo pathway, as well as its physiological functions, such as cell proliferation and differentiation, organ growth, embryogenesis, and tissue regeneration/wound healing. However, dysregulation of the Hippo pathway can cause a variety of diseases, including cancer, eye diseases, cardiac diseases, pulmonary diseases, renal diseases, hepatic diseases, and immune dysfunction. Therefore, therapeutic strategies that target dysregulated Hippo components might be promising approaches for the treatment of a wide spectrum of diseases. Here, we review the key components and upstream signals of the Hippo pathway, as well as the critical physiological functions controlled by the Hippo pathway. Additionally, diseases associated with alterations in the Hippo pathway and potential therapies targeting Hippo components will be discussed.
Beaver dams overshadow climate extremes in controlling riparian hydrology and water quality
Authors: Dewey Christian , Fox Patricia M. , Bouskill Nicholas J. , Dwivedi Dipankar , Nico Peter , Fendorf Scott
Published: November 2022

Hydrologic extremes dominate chemical exports from riparian zones and dictate water quality in major river systems. Yet, changes in land use and ecosystem services alongside growing climate variability are altering hydrologic extremes and their coupled impacts on riverine water quality. In the western U.S., warming temperatures and intensified aridification are increasingly paired with the expanding range of the American beaver—and their dams, which transform hydrologic and biogeochemical cycles in riparian systems. Here, we show that beaver dams overshadow climatic hydrologic extremes in their effects on water residence time and oxygen and nitrogen fluxes in the riparian subsurface. In a mountainous watershed in Colorado, U.S.A., we find that the increase in riparian hydraulic gradients imposed by a beaver dam is 10.7–13.3 times greater than seasonal hydrologic extremes. The massive hydraulic gradient increases hyporheic nitrate removal by 44.2% relative to seasonal extremes alone. A drier, hotter climate in the western U.S. will further expand the range of beavers and magnify their impacts on watershed hydrology and biogeochemistry, illustrating that ecosystem feedbacks to climate change will alter water quality in river systems.
The first mitotic division of human embryos is highly error prone
Authors: Currie Cerys E. , Ford Emma , Benham Whyte Lucy , Taylor Deborah M. , Mihalas Bettina P. , Erent Muriel , Marston Adele L. , Hartshorne Geraldine M. , McAinsh Andrew D.
Published: November 2022

Human beings are made of ~50 trillion cells which arise from serial mitotic divisions of a single cell - the fertilised egg. Remarkably, the early human embryo is often chromosomally abnormal, and many are mosaic, with the karyotype differing from one cell to another. Mosaicism presumably arises from chromosome segregation errors during the early mitotic divisions, although these events have never been visualised in living human embryos. Here, we establish live cell imaging of chromosome segregation using normally fertilised embryos from an egg-share-to-research programme, as well as embryos deselected during fertility treatment. We reveal that the first mitotic division has an extended prometaphase/metaphase and exhibits phenotypes that can cause nondisjunction. These included multipolar chromosome segregations and lagging chromosomes that lead to formation of micronuclei. Analysis of nuclear number and size provides evidence of equivalent phenotypes in 2-cell human embryos that gave rise to live births. Together this shows that errors in the first mitotic division can be tolerated in human embryos and uncovers cell biological events that contribute to preimplantation mosaicism.
Two-dimensional Thouless pumping of light in photonic moiré lattices
Authors: Wang Peng , Fu Qidong , Peng Ruihan , Kartashov Yaroslav V. , Torner Lluis , Konotop Vladimir V. , Ye Fangwei
Published: November 2022

Continuous and quantized transports are profoundly different. The latter is determined by the global rather than local properties of a system, it exhibits unique topological features, and its ubiquitous nature causes its occurrence in many areas of science. Here we report the first observation of fully-two-dimensional Thouless pumping of light by bulk modes in a purpose-designed tilted moiré lattices imprinted in a photorefractive crystal. Pumping in such unconfined system occurs due to the longitudinal adiabatic and periodic modulation of the refractive index. The topological nature of this phenomenon manifests itself in the magnitude and direction of shift of the beam center-of-mass averaged over one pumping cycle. Our experimental results are supported by systematic numerical simulations in the frames of the continuous Schrödinger equation governing propagation of probe light beam in optically-induced photorefractive moiré lattice. Our system affords a powerful platform for the exploration of topological pumping in tunable commensurate and incommensurate geometries.
Spatially resolved gene regulatory and disease-related vulnerability map of the adult Macaque cortex
Authors: Lei Ying , Cheng Mengnan , Li Zihao , Zhuang Zhenkun , Wu Liang , sun Yunong , Han Lei , Huang Zhihao , Wang Yuzhou , Wang Zifei , Xu Liqin , Yuan Yue , Liu Shang , Pan Taotao , Xie Jiarui , Liu Chuanyu , Volpe Giacomo , Ward Carl , Lai Yiwei , Xu Jiangshan , Wang Mingyue , Yu Hao , Sun Haixi , Yu Qichao , Wu Liang , Wang Chunqing , Wong Chi Wai , Liu Wei , Xu Liangzhi , Wei Jingkuan , Chen Dandan , Shang Zhouchun , Li Guibo , Ma Kun , Cheng Le , Ling Fei , Tan Tao , Chen Kai , Tasic Bosiljka , Dean Michael , Ji Weizhi , Yang Huanming , Gu Ying , Esteban Miguel A. , Li Yuxiang , Chen Ao , Niu Yuyu , Zeng Hongkui , Hou Yong , Liu Longqi , Liu Shiping , Xu Xun
Published: November 2022

Single cell approaches have increased our knowledge about the cell type composition of the non-human primate (NHP), but a detailed characterization of area-specific regulatory features remains outstanding. We generated single-cell transcriptomic and chromatin accessibility (single-cell ATAC) data of 358,237 cells from prefrontal cortex (PFC), primary motor cortex (M1) and primary visual cortex (V1) of adult female cynomolgus monkey brain, and integrated this dataset with Stereo-seq (spatial enhanced resolution omics-sequencing) of the corresponding cortical areas to assign topographic information to molecular states. We identified area-specific chromatin accessible sites and their targeted genes, including the cell type-specific transcriptional regulatory network associated with excitatory neurons heterogeneity. We reveal calcium ion transport and axon guidance genes related to specialized functions of PFC and M1, identified the similarities and differences between adult macaque and human oligodendrocyte trajectories, and mapped the genetic variants and gene perturbations of human diseases to NHP cortical cells. This resource establishes a transcriptomic and chromatin accessibility combinatory regulatory landscape at a single-cell and spatially resolved resolution in NHP cortex.
Structural basis for sequence-independent substrate selection by eukaryotic wobble base tRNA deaminase ADAT2/3
Authors: Dolce Luciano G. , Zimmer Aubree A. , Tengo Laura , Weis Félix , Rubio Mary Anne T. , Alfonzo Juan D. , Kowalinski Eva
Published: November 2022

The essential deamination of adenosine A34 to inosine at the wobble base is the individual tRNA modification with the greatest effects on mRNA decoding, empowering a single tRNA to translate three different codons. To date, many aspects of how eukaryotic deaminases specifically select their multiple substrates remain unclear. Here, using cryo-EM, we present the structure of a eukaryotic ADAT2/3 deaminase bound to a full-length tRNA, revealing that the enzyme distorts the anticodon loop, but in contrast to the bacterial enzymes, selects its substrate via sequence-independent contacts of eukaryote-acquired flexible or intrinsically unfolded motifs distal from the conserved catalytic core. A gating mechanism for substrate entry to the active site is identified. Our multi-step tRNA recognition model yields insights into how RNA editing by A34 deamination evolved, shaped the genetic code, and directly impacts the eukaryotic proteome.
Single cell sequencing reveals that CD39 inhibition mediates changes to the tumor microenvironment
Authors: Liu Lilong , Hou Yaxin , Deng Changqi , Tao Zhen , Chen Zhaohui , Hu Junyi , Chen Ke
Published: November 2022

Single-cell sequencing technologies have noteworthily improved our understanding of the genetic map and molecular characteristics of bladder cancer (BC). Here we identify CD39 as a potential therapeutic target for BC via single-cell transcriptome analysis. In a subcutaneous tumor model and orthotopic bladder cancer model, inhibition of CD39 (CD39i) by sodium polyoxotungstate is able to limit the growth of BC and improve the overall survival of tumor-bearing mice. Via single cell RNA sequencing, we find that CD39i increase the intratumor NK cells, conventional type 1 dendritic cells (cDC1) and CD8 + T cells and decrease the Treg abundance. The antitumor effect and reprogramming of the tumor microenvironment are blockaded in both the NK cells depletion model and the cDC1-deficient Batf3−/− model. In addition, a significant synergistic effect is observed between CD39i and cisplatin, but the CD39i + anti-PD-L1 (or anti-PD1) strategy does not show any synergistic effects in the BC model. Our results confirm that CD39 is a potential target for the immune therapy of BC.
Magnetic NH2-MIL-101(Al)/Chitosan nanocomposite as a novel adsorbent for the removal of azithromycin: modeling and process optimization
Authors: Azari Ali , Malakoutian Mohammad , Yaghmaeain Kamyar , Jaafarzadeh Neemat , Shariatifar Nabi , Mohammadi Gholamabbas , Masoudi Mahmood Reza , Sadeghi Reza , Hamzeh Sanaz , Kamani Hossein
Published: November 2022

In the present study, the magnetic NH2-MIL-101(Al)/chitosan nanocomposite (MIL/Cs@Fe3O4 NCs) was synthesized and used in the removal of azithromycin (AZT) from an aqueous solution for the first time. The as-synthesized MIL/Cs@Fe3O4 NCs was characterized by SEM, TEM, XRD, FTIR, BET, and VSM techniques. The effect of various key factors in the AZT adsorption process was modeled and optimized using response surface methodology based on central composite design (RSM-CCD). The low value of p-value (1.3101e−06) and RSD (1.873) parameters, along with the coefficient of determination > 0.997 implied that the developed model was well fitted with experimental data. Under the optimized conditions, including pH: 7.992, adsorbent dose: 0.279 g/L, time: 64.256 min and AZT concentration: 10.107 mg/L, removal efficiency and AZT adsorption capacity were obtained as 98.362 ± 3.24% and 238.553 mg/g, respectively. The fitting of data with the Langmuir isotherm (R2: 0.998, X2: 0.011) and Pseudo-second-order kinetics (R2: 0.999, X2: 0.013) showed that the adsorption process is monolayer and chemical in nature. ΔH° > 0, ΔS° > 0, and ∆G° < 0 indicated that AZT removal was spontaneous and endothermic in nature. The effect of Magnesium on AZT adsorption was more complicated than other background ions. Reuse of the adsorbent in 10 consecutive experiments showed that removal efficiency was reduced by about 30.24%. The performance of MIL/Cs@Fe3O4 NCs under real conditions was also tested and promising results were achieved, except in the treatment of AZT from raw wastewater.
The spike gene target failure (SGTF) genomic signature is highly accurate for the identification of Alpha and Omicron SARS-CoV-2 variants
Authors: McMillen Tracy , Jani Krupa , Robilotti Elizabeth V. , Kamboj Mini , Babady N. Esther
Published: November 2022

The Alpha (B.1.1.7) and Omicron (B.1.1.529, BA.1, BA.4 and BA.5) variants of concern (VOC) share several mutations in their spike gene, including mutations resulting in the deletion of two amino acids at position 69 and 70 (del 69–70) in the Spike protein. Del 69–70 causes failure to detect the S gene target on a widely used, commercial test, the TaqPath SARS-CoV-2 RT-PCR (Thermo Fisher). The S gene target failure (SGTF) signature has been used to preliminarily infer the presence of Alpha and Omicron VOC. We evaluated the accuracy of the SGTF signature in identifying these two variants through analysis of all positive SARS-CoV-2 samples tested on the TaqPath RT-PCR and sequenced by next generation sequencing between December 2020 to July 2022. 2324 samples were successfully sequenced including 914 SGTF positive samples. The sensitivity and specificity of the SGTF signature was 99.6% (95% CI 96.1–99.9%) and 98.6% (95% CI 99.2–99.8%) for the Alpha variant and 99.6% (95% CI 98.9–99.9%) and 99.8% (95% CI 99.4–99.9%) for the Omicron variant. At the peak of their corresponding wave, the positive predictive value of the SGTF was 98% for Alpha and 100% for Omicron. The accuracy of the SGTF signature was high, making this genomic signature a rapid and accurate proxy for identification of these variants in real-world laboratory settings.
Power quality approximation for household equipment load combinations using a stepwise growth in input parameters of AI models
Authors: Zjavka Ladislav
Published: November 2022

Detached off-grids, subject to the generated renewable energy (RE), need to balance and compensate the unstable power supply dependent on local source potential. Power quality (PQ) is a set of EU standards that state acceptable deviations in the parameters of electrical power systems to guarantee their operability without dropout. Optimization of the estimated PQ parameters in a day-horizon is essential in the operational planning of autonomous smart grids, which accommodate the norms for the specific equipment and user demands to avoid malfunctions. PQ data for all system states are not available for dozens of connected / switched on household appliances, defined by their binary load series only, as the number of combinations grows exponentially. The load characteristics and eventual RE contingent supply can result in system instability and unacceptable PQ events. Models, evolved by Artificial Intelligence (AI) methods using self-optimization algorithms, can estimate unknown cases and states in autonomous systems contingent on self-supply of RE power related to chaotic and intermitted local weather sources. A new multilevel extension procedure designed to incrementally improve the applicability and adaptability to training data. The initial AI model starts with binary load series only, which are insufficient to represent complex data patterns. The input vector is progressively extended with correlated PQ parameters at the next estimation level to better represent the active demand of the power consumer. Historical data sets comprise training samples for all PQ parameters, but only the load sequences of the switch-on appliances are available in the next estimation states. The most valuable PQ parameters are selected and estimated in the previous algorithm stages to be used as supplementary series in the next more precise computing. More complex models, using the previous PQ-data approximates, are formed at the secondary processing levels to estimate the target PQ-output in better quality. The new added input parameters allow us to evolve a more convenient model form. The proposed multilevel refinement algorithm can be generally applied in modelling of unknown sequence states of dynamical systems, initially described by binary series or other insufficient limited-data variables, which are inadequate in a problem representation. Most AI computing techniques can adapt this strategy to improve their adaptive learning and model performance.
Mendelian randomization study reveals a causal relationship between adiponectin and LDL cholesterol in Africans
Authors: Meeks Karlijn A. C. , Bentley Amy R. , Doumatey Ayo P. , Adeyemo Adebowale A. , Rotimi Charles N.
Published: November 2022

Adiponectin has been associated with cardiometabolic traits in observational studies across populations, yet it is unclear if these associations are causal. We performed Mendelian randomization (MR) analysis to assess the relationship between adiponectin and cardiometabolic traits in sub-Saharan Africans. We constructed a polygenic risk score (PRS) for adiponectin levels across 3354 unrelated sub-Saharan Africans. The PRS was used as the instrumental variable in two-stage least-squares MR analysis to assess its association with insulin resistance, HDL, LDL, total cholesterol, triglycerides, blood pressure, Type 2 Diabetes (T2D), and hypertension. The adiponectin PRS was causally related with LDL (β = 0.55, 95%CI 0.07–1.04, P-value = 0.024) but not the other traits. This association was observed in both overweight/obese and normal weight individuals, but only reached statistical significance among overweight/obese individuals (β = 0.55, 95%CI 0.01–1.08, P-value = 0.045). In normal weight individuals, the adiponectin PRS was associated with T2D (OR = 0.13, 95%CI 0.02–0.73, P-value = 0.021), and in men with HDL (β = 1.03, 95%CI 0.14–1.92, P-value = 0.023). The findings of this first MR study in sub-Saharan Africans support a causal relationship of adiponectin with LDL, with T2D in normal weight individuals only, and with HDL in men only. These observations add to the small but growing literature on adiponectin MR studies.
Efficient computation of the steady-state and time-domain solutions of the photon diffusion equation in layered turbid media
Authors: Helton Michael , Zerafa Samantha , Vishwanath Karthik , Mycek Mary-Ann
Published: November 2022

Accurate and efficient forward models of photon migration in heterogeneous geometries are important for many applications of light in medicine because many biological tissues exhibit a layered structure of independent optical properties and thickness. However, closed form analytical solutions are not readily available for layered tissue-models, and often are modeled using computationally expensive numerical techniques or theoretical approximations that limit accuracy and real-time analysis. Here, we develop an open-source accurate, efficient, and stable numerical routine to solve the diffusion equation in the steady-state and time-domain for a layered cylinder tissue model with an arbitrary number of layers and specified thickness and optical coefficients. We show that the steady-state ($$< 0.1$$

<
0.1

ms) and time-domain ($$< 0.5$$

<
0.5

ms) fluence (for an 8-layer medium) can be calculated with absolute numerical errors approaching machine precision. The numerical implementation increased computation speed by 3 to 4 orders of magnitude compared to previously reported theoretical solutions in layered media. We verify our solutions asymptotically to homogeneous tissue geometries using closed form analytical solutions to assess convergence and numerical accuracy. Approximate solutions to compute the reflected intensity are presented which can decrease the computation time by an additional 2–3 orders of magnitude. We also compare our solutions for 2, 3, and 5 layered media to gold-standard Monte Carlo simulations in layered tissue models of high interest in biomedical optics (e.g. skin/fat/muscle and brain). The presented routine could enable more robust real-time data analysis tools in heterogeneous tissues that are important in many clinical applications such as functional brain imaging and diffuse optical spectroscopy.
Lack of the association between height and cardiovascular prognosis in hypertensive men and women: analysis of national real-world database
Authors: Kim Hack-Lyoung , Lee Yonggu , Lee Jun Hyeok , Shin Jeong-Hun , Shin Jinho , Sung Ki-Chul
Published: November 2022

Data on the association between height and cardiovascular risk are still conflicting. Moreover, no reports are showing this issue in hypertensive patients. This study was performed to investigate whether height affects cardiovascular prognosis in hypertensive patients using nation-wide real-world data. Using the Korean National Health Insurance Service database, we analyzed 461,492 Korean hypertensive patients without any prior history of cardiovascular disease between January 2002 and December 2017. The incidence of a composite of cardiovascular death, myocardial infarction, and stroke was assessed according to height quintiles. In univariable comparisons, the taller the patients, the younger the age and the higher the proportion of men. In multivariable cox regression analyses, height was not associated with the occurrence of cardiovascular events. Although the risk of clinical events increased in some height quintiles compared to the first height quintile, there was no tendency to increase the risk according to the increase in the height quintile. These results were similar even when men and women were analyzed separately. In the same quintile group of height, there were no significant differences in clinical outcomes between sexes. In Korean hypertensive patients, there was no association between height and the occurrence of cardiovascular events. This result did not differ by sex. The clinical use of height for CVD prediction seems to be still tricky in hypertensive patients.
Improved generalized ComBat methods for harmonization of radiomic features
Authors: Horng Hannah , Singh Apurva , Yousefi Bardia , Cohen Eric A. , Haghighi Babak , Katz Sharyn , Noël Peter B. , Kontos Despina , Shinohara Russell T.
Published: November 2022

Radiomic approaches in precision medicine are promising, but variation associated with image acquisition factors can result in severe biases and low generalizability. Multicenter datasets used in these studies are often heterogeneous in multiple imaging parameters and/or have missing information, resulting in multimodal radiomic feature distributions. ComBat is a promising harmonization tool, but it only harmonizes by single/known variables and assumes standardized input data are normally distributed. We propose a procedure that sequentially harmonizes for multiple batch effects in an optimized order, called OPNested ComBat. Furthermore, we propose to address bimodality by employing a Gaussian Mixture Model (GMM) grouping considered as either a batch variable (OPNested + GMM) or as a protected clinical covariate (OPNested − GMM). Methods were evaluated on features extracted with CapTK and PyRadiomics from two public lung computed tomography (CT) datasets. We found that OPNested ComBat improved harmonization performance over standard ComBat. OPNested + GMM ComBat exhibited the best harmonization performance but the lowest predictive performance, while OPNested − GMM ComBat showed poorer harmonization performance, but the highest predictive performance. Our findings emphasize that improved harmonization performance is no guarantee of improved predictive performance, and that these methods show promise for superior standardization of datasets heterogeneous in multiple or unknown imaging parameters and greater generalizability.
Test–retest reliability of splenic volume assessment by ultrasonography
Authors: Holmström Pontus , Pernett Frank , Schagatay Erika
Published: November 2022

While MRI and CT are the gold standards for assessments of splenic size in clinical settings, ultrasonography is particularly suited due to its portability, cost efficiency and easy utilization. However, ultrasonography is associated with subjective assessment, potentially resulting in increased variation. We used a test–retest design aiming to determine the reliability of splenic measurements assessed by ultrasonography during apnea. In addition, we compared reliability between different equations for volume calculations: Koga, Prolate ellipsoid and Pilström. Twelve healthy participants (6 women) performed two tests separated by 15 min, comprising a maximal voluntary apnea in a seated position. Splenic dimensions were measured via ultrasonography for 5 min before and immediately following apnea. Resting splenic volume displayed high test–retest reliability between tests (Pilström: 157 ± 39 mL vs 156 ± 34 mL, p = .651, ICC = .970, p < .001, CV = 2.98 ± 0.1%; Prolate ellipsoid: 154 ± 37 mL vs 144 ± 43 mL, p = .122, ICC = .942, p < .001, CV = 5.47 ± 0.3%; Koga: 142 ± 37 mL vs 140 ± 59 mL, p = .845, ICC = .859, p < .001, CV = 9.72 ± 1.4%). Apnea-induced volumes displayed similar reliability (127 ± 29 mL vs 129 ± 28 mL, p = .359, ICC = .967, p < .001, CV = 3.14 ± 3.1%). Reliability was also high between equations (Pilström vs Prolate ellipsoid: ICC = .818, p < .001, CV = 7.33 ± 0.3%, bias =  − 3.1 mL, LoA =  − 46.9 to 40.7 mL; Pilström vs Koga: ICC = .618, p < .01, CV = 11.83 ± 1.1%, bias =  − 14.8 mL, LoA =  − 76.9 to 47.3 mL). We conclude that splenic ultrasonographic measurements have practical applications during laboratory and field-based research as a reliable method detecting splenic volume change consistently between repeated tests. The Pilström equation displayed similar reliability compared to the prolate ellipsoid formula and slightly higher compared to the Koga formula and may be particularly useful to account for individual differences in splenic dimensions.
Analysis of Early Iron Age (2500 BP) and modern period (150 BP) starch grains in Western Central Africa
Authors: Cagnato Clarissa , Nlend Pascal , Ngouoh François , Oslisly Richard , de Saulieu Geoffroy
Published: November 2022

Starch grain analysis carried out on 23 ceramic sherds from 6 refuse pits from the site of Nachtigal in central Cameroon is shedding light on a longstanding debate regarding ancient diets in Central Africa during the Iron Age (IA, 2500 years BP) but also more recently during the Modern Period (ca. 150 BP). The results indicate a varied, but balanced diet, consisting of cereals, legumes, oil-rich seeds, and tubers; the latter being very rarely documented in the region. Moreover, we underscore the presence of taxa still consumed today, or in recent times. Rescue archaeology, and the application of specialized methodologies, are critical to better nuancing past dietary practices in this region.
Photoredox C–H functionalization leads the site-selective phenylalanine bioconjugation
Authors: Weng Yue , Su Chun-Jen , Jiang Haoyang , Chiang Chien-Wei
Published: November 2022

Site-selectively chemical bioconjugation of peptides and proteins can improve the therapeutic exploration of modified protein drugs. Only 3.8% natural abundance of phenylalanine in protein and nearly 90% of proteins contain at least one phenylalanine residue in their sequenced, showing the potential in biopharmaceutical utility of the phenylalanine bioconjugation. However, the covalent bioconjugation of native phenylalanine is one of the most challenging problems in protein modification. Herein, an approach to protein modification is described that relies on a photoredox method for the site-selective bioconjugation of phenylalanine. This methodology has been validated on peptides as well as protein insulin using a straightforward and mild condition. In addition, based on characterization by near-UV CD spectroscopy and small angle X-ray scattering (SAXS), this pyrazole labeling approach permitted the insulin hexamer to completely dissociate into the monomeric form, thus making it a potential candidate for use as rapid-acting insulin for the treatment of diabetes.
Grey Wolf Optimization algorithm based on Cauchy-Gaussian mutation and improved search strategy
Authors: Li Kewen , Li Shaohui , Huang Zongchao , Zhang Min , Xu Zhifeng
Published: November 2022

The traditional Grey Wolf Optimization algorithm (GWO) has received widespread attention due to features of strong convergence performance, few parameters, and easy implementation. However, in actual optimization projects, there are problems of slow convergence speed and easy to fall into local optimal solution. The paper proposed a Grey Wolf Optimization algorithm based on Cauchy-Gaussian mutation and improved search strategy (CG-GWO) in response to the above problems. The Cauchy-Gaussian mutation operator is introduced to increase the population diversity of the leader wolves and improve the global search ability of the algorithm. This work retains outstanding grey wolf individuals through the greedy selection mechanism to ensure the convergence speed of the algorithm. An improved search strategy was proposed to expand the optimization space of the algorithm and improve the convergence accuracy. Experiments are performed with 16 benchmark functions covering unimodal functions, multimodal functions, and fixed-dimension multimodal functions to verify the effectiveness of the algorithm. Experimental results show that compared with four classic optimization algorithms, particle swarm optimization algorithm (PSO), whale optimization algorithm (WOA), sparrow optimization algorithm (SSA), and farmland fertility algorithm (FFA), the CG-GWO algorithm shows better convergence accuracy, convergence speed, and global search ability. The proposed algorithm shows the same better performance compared with a series of improved algorithms such as the improved grey wolf algorithm (IGWO), modified Grey Wolf Optimization algorithm (mGWO), and the Grey Wolf Optimization algorithm inspired by enhanced leadership (GLF-GWO).
Phase transformation path in Aluminum under ramp compression; simulation and experimental study
Authors: He Lijie , Polsin Danae , Zhang Shuai , Collins Gilbert W. , Abdolrahim Niaz
Published: November 2022

We present a framework based on non-equilibrium molecular dynamics (NEMD) to reproduce the phase transformation event of Aluminum under ramp compression loading. The simulated stress-density response, virtual x-ray diffraction patterns, and structure analysis are compared against the previously observed experimental laser-driven ramp compression in-situ x-ray diffraction data. The NEMD simulations show the solid–solid phase transitions are consistent to experimental observations with a close-packed face-centered cubic (fcc) (111), hexagonal close-packed (hcp) structure (002), and body-centered cubic bcc (110) planes remaining parallel. The atomic-level analysis of NEMD simulations identifiy the exact phase transformation pathway happening via Bain transformation while the previous in situ x-ray diffraction data did not provide sufficient information for deducing the exact phase transformation path.
Localized periodontitis and kidney function for the risk of proteinuria in young adults in the CHIEF oral health study
Authors: Tsai Kun-Zhe , Liu Pang-Yen , Wu Tsung-Jui , Fan Chia-Hao , Cheng Wan-Chien , Huang Ren-Yeong , Lin Gen-Min
Published: November 2022

This study aimed to investigate the association of localized periodontitis with proteinuria in 1281 military young adults in Taiwan. Localized periodontitis was classified as Healthy/Stage I (N = 928) or Stage II/III (N = 353). Stage 2 chronic kidney disease (CKD) was defined as an estimated glomerular filtration rate (eGFR) of 60–89 mL/min/1.73 m2. Proteinuria was defined as protein levels of 2+ or 3+ on the dipstick test. Multiple logistic regression analysis with adjustments for age, sex, body mass index, remaining teeth number and other potential covariates were used to determine the association between localized Stage II/III periodontitis and dipstick proteinuria in patients with and without CKD. Localized stage II/III periodontitis was associated with a higher risk of dipstick proteinuria [odds ratio (OR) and 95% confidence interval: 1.89 (1.04–3.42)], but not with stage 2 CKD. However, the association between localized stage II/III periodontitis and dipstick proteinuria was observed only in patients with stage 2 CKD [OR: 3.80 (1.56–9.27)], while the association was null in participants without stage 2 CKD [OR: 1.02 (0.42–2.45)]. Our findings suggest that among young adults, especially those with a mildly impaired eGFR, localized periodontitis might contribute to acute or chronic kidney injury, which manifests as proteinuria.
Design, development and applications of copper-catalyzed regioselective (4 + 2) annulations between diaryliodonium salts and alkynes
Authors: Wang Weilin , Zhou Junrui , Wang Chao , Zhang Congdi , Zhang Xiao-Qian , Wang Youliang
Published: November 2022

Diaryliodonium salts have been extensively applied in organic synthesis as aryl cation equivalents. However, in the electrophilic reactions with alkenes or alkynes, only the electrophilic carbon of the diaryliodonium salts was involved while the other part of the aryl ring was not utilized. Herein, a reaction pattern of diaryliodonium was reported as oxa-1,4-dipoles to undergo (4 + 2) cycloaddition reactions with alkynes. Broad spectrum of the two reaction partners could be utilized in this protocol, enabling an operationally simple, high yielding, and regioselective synthetic approach to isocoumarins. Particularly, good to excellent regioselectivities were achieved for the sterically unbiased unsymmetrical diaryl acetylenes, which was challenging for other transition metal-catalyzed processes. The reaction could be scaled up with the ideal 1:1 stoichiometry and the isocoumarin type natural products Oospolactone and Thunberginol A could be obtained in one or three steps through this methodology.
Feature extended energy landscape model for interpreting coercivity mechanism
Authors: Foggiatto Alexandre Lira , Kunii Sotaro , Mitsumata Chiraru , Kotsugi Masato
Published: November 2022

Coercivity is expressed as a complex correlation between magnetisation and microstructures. However, owing to multiple intrinsic origins, coercivity has not been fully understood in the framework of the conventional Ginzburg–Landau theory. Here, we use machine learning to draw a realistic energy landscape of magnetisation reversal to consider missing parameters in the Ginzburg–Landau theory. The energy landscape in the magnetisation reversal process is visualised as a function of features extracted via machine learning; the correlation between the reduced feature space and hysteresis loop is assigned. Features in the lower dimension dataset strongly correlate with magnetisation and are embedded with morphological information. We analyse the energy landscape for simulated and experimental magnetic domain structures; a similar trend is observed. The landscape map enables visualisation of the energy of the system and coercivity as a function of feature space components.
Luminescence detection of peptide:N-glycanase activity using engineered split inteins
Authors: Takahashi Tsuyoshi , Uchibayashi Tatsuya , Ishii Nozomi , Matsuo Ichiro , Yoshida Yukiko , Suzuki Tadashi
Published: November 2022

A convenient method to detect peptide:N-glycanase activity was developed using engineered split inteins in which the N-intein sequences contain N,N′-diacetylchitobiose.
Electricity-driven three-component reductive coupling reaction for the synthesis of diarylmethylamine
Authors: Yang Lei , Sun Maolin , Cao Liming , Liang Chaoming , Yang Jiasheng , Yi Junjun , Cheng Ruihua , Ma Yueyue , Ye Jinxing
Published: November 2022

The in situ generated imine was cross-coupled with cyanopyridine to synthesize diarylmethylamine via cathodic reduction under electrochemical conditions.
Direct access to thieno[3,4-b]thiophenes via elemental sulfur-promoted sulfurative tetramerization of acetophenones
Authors: Nguyen Thanh Binh , Retailleau Pascal
Published: November 2022

Acetophenones undergo a cascade sulfurative tetramerization to form thieno[3,4-b]thiophenes in a ternary system of elemental sulfur, a base and DMSO.
Thermodynamics of supercritical carbon dioxide mixtures across the Widom line
Authors: Saric Denis , Guevara-Carrion Gabriela , Vrabec Jadran
Published: November 2022

Thermodynamic, transport and structural properties of seven dilute scCO2 mixtures are analyzed by molecular simulation and equations of state. Different definitions of the Widom line are reviewed and an equation for its determination is proposed.
Ameliorated Li+ extraction/insertion kinetics and stability of LiMnPO4 by Al3+ doping
Authors: Chen Wei , Luo Qiyue , Fang Haisheng
Published: November 2022

Al3+ doping to obtain Li1−xAlxMnPO4 can not only accelerate Li+ extraction/insertion kinetics but also ameliorate the stability of the delithiated phase, which are fundamentally important for the electrochemical performance and safety of LiMnPO4.
Non-covalent bonds in group 1 and group 2 elements: the ‘alkalene bond’
Authors: Das Arijit , Arunan E.
Published: November 2022

The non-covalent bonds formed by group 1 and group 2 elements were examined using a binding energy and electron density correction plot. The difference in slopes between hydrogen and the rest of the element gave rise to the common name alkalene bond.
Hierarchical manganese valence gradient MnO2via phosphorus doping for cathode materials with improved stability
Authors: Zhao Limin , Ni Zejuan , Ge Bo , Jin Chuanyu , Zhao Hui , Li Wenzhi
Published: November 2022

The oxygen defects concentration in P-MnOx increased and formed a gradient valence structure, which could result in the narrowing of band gap and improve the electrochemical performance of samples for supercapacitor and aqueous ZIBs.
Atomically dispersed Pt inside MOFs for highly efficient photocatalytic hydrogen evolution
Authors: Zhang Yunxiao , Yan Pengfei , Zhou Yannan , Xu Qun
Published: November 2022

Pt is carried into the channels of UiO-66 with supercritical carbon dioxide to achieve high activity for hydrogen production by photolysis.
Cocatalyst engineering to weaken the charge screening effect over Au–Bi4Ti3O12 for piezocatalytic pure water splitting
Authors: Lei Rui , Fu Xianzhi , Chen Naxin , Chen Yifeng , Feng Wenhui , Liu Ping
Published: November 2022

The weak driving force and rapid carrier recombination severely restrict the development and utilization of piezocatalysis, but the important reason is the charge screening effect.
CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides
Authors: Mishra Manish Kumar , Smetana Volodymyr , Hiti Ethan A. , Wineinger Hannah B. , Qu Fengrui , Mudring Anja-Verena , Rogers Robin D.
Published: November 2022

Aqueous solutions of tetra(n-alkyl)ammonium hydroxides, [Nnnnn][OH] with n = 2: n-ethyl, 3: n-propyl, 4: n-butyl are effective in direct air carbon capture (DAC) with high CO2/[Nnnnn][OH] ratio.
Ultrathin NiCo-LDH regulated by CuNiCo trimetallic spinel sulfides as highly active and stable electrocatalysts for overall water splitting
Authors: Yu Xinyuan , Shen Jiaying , Chen Qianqiao , Zhong Qin
Published: November 2022

A unique heterostructure of CuNiCo trimetallic spinel sulfides (Cu0.25Ni0.75Co2S4) wrapped by an ultrathin NiCo-LDH layer was constructed. The interfacial interaction between NiCo-LDH and Cu0.25Ni0.75Co2S4 was verified by XPS tests.
OH scavenging pyridinic N for facile oxygen reduction reaction on free Pt surface
Authors: Lee Youjin , Ham Kahyun , Shin Dongyoon , Bong Sungyool , Jeong Beomgyun , Lee Jaeyoung
Published: November 2022

Pyridinic N in PtCo catalyst layer scavenges OH− ion and keeps Pt surface clean for facile oxygen reduction reaction.
Synthesis and spectroscopic identification of nickel and cobalt layered hydroxides and hydroxynitrates
Authors: Wallbridge Samuel P. , Lawson Kurt , Catling Amy E. , Kirk Caroline A. , Dann Sandra E.
Published: November 2022

Solid-state and solution synthesis methods have been refined to target single phase α- and β- hydroxides and two hydroxynitrate structures of nickel and cobalt using unique symmetry changes in the nitrate anions incorporated into the structures.
Formation of SiO2@C–Ni magnetic nanotubes with excellent performance in 4-nitrophenol reduction
Authors: Jin Yuqin , Zheng Jing , Zhu Linyu , Yin Xue-Bo , Zhang Min
Published: November 2022

Herein, a facile and controllable strategy was proposed for the fabrication of SiO2@C–Ni nanotubes, and the resulting composite exhibited outstanding catalytic performance towards the reduction of 4-nitrophenol (4-NP).
How solvents affect the stability of cationic Rh(i) diphosphine complexes: a case study of MeCN coordination
Authors: Jannsen Nora , Fischer Christian , Selle Carmen , Pribbenow Cornelia , Drexler Hans-Joachim , Reiß Fabian , Beweries Torsten , Heller Detlef
Published: November 2022

We present a method for the systematic investigation and quantification of the stability of solvate complexes of the type [Rh(diphosphine)(solvent)2]+, using MeCN which replaces diolefins and forms stable Rh(i) MeCN complexes.
Indoor partitioning and potential thirdhand exposure to carbonyl flavoring agents added in e-cigarettes and hookah tobacco
Authors: Wu Shuang , Kim Erica , Vethanayagam Dilini , Zhao Ran
Published: November 2022

The residents are likely to experience harmful thirdhand exposure due to the indoor partitioning of flavoring agents added to the e-cigarettes and hookah tobacco.
Cytotoxicity and RNA-sequencing analysis of macrophages after exposure to vanadium dioxide nanoparticles
Authors: Xi Wen-Song , Li Jia-Bei , Tang Xue-Rui , Tan Shi-Ying , Cao Aoneng , Liu Yuanfang , Wang Haifang
Published: November 2022

VO2NPs trigger endoplasmic reticulum stress, release of calcium ions, and overproduction of ROS, leading to a significant proliferation inhibition and apoptosis in macrophages. VO2NPs display higher responses and toxicity than bulk VO2.
Catalytic production of tetrahydropyran (THP): a biomass-derived, economically competitive solvent with demonstrated use in plastic dissolution
Authors: Dastidar Raka G. , Kim Min Soo , Zhou Panzheng , Luo Zaneta , Shi Changxia , Barnett Kevin J. , McClelland Daniel J. , Chen Eugene Y.-X. , Van Lehn Reid C. , Huber George W.
Published: November 2022

Tetrahydropyran (THP) is a five-carbon heterocyclic ether that is non-carcinogenic, non-peroxide forming, biodegradable, and economically competitive with tetrahydrofuran (THF) as a solvent.
Can deep learning assist automatic identification of layered pigments from XRF data?
Authors: Xu Bingjie Jenny , Wu Yunan , Hao Pengxiao , Vermeulen Marc , McGeachy Alicia , Smith Kate , Eremin Katherine , Rayner Georgina , Verri Giovanni , Willomitzer Florian , Alfeld Matthias , Tumblin Jack , Katsaggelos Aggelos , Walton Marc
Published: November 2022

X-ray fluorescence spectroscopy (XRF) plays an important role for elemental analysis in a wide range of scientific fields, especially in cultural heritage.
Review of foundational concepts and emerging directions in metamaterial research: design, phenomena, and applications
Authors: Holliman Jade E. , Schaef H. Todd , McGrail B. Peter , Miller Quin R. S.
Published: November 2022

We place metamaterials in the context of underpinning physical phenomena, including negative refraction, bandgaps, wave focusing, and negative Poisson’s ratio. The designs, mechanisms, governing equations, and effective parameters are discussed.
A polyeugenol/graphene composite with excellent anti-corrosion coating properties
Authors: Prasetya Nor Basid Adiwibawa , Ajizan Aniq Ibnu , Widodo Didik Setiyo , Ngadiwiyana Ngadiwiyana , Gunawan Gunawan
Published: November 2022

A PE/G composite showed superior anti-corrosion properties with increased corrosion protection efficiency up to 78% after incorporating 1.25% (w/w) of graphene.
Elucidating the role of disorder introduced by nitrogen in the superconducting properties of tungsten thin films
Authors: Hofer J. A. , Bengio S. , Suárez S. , Haberkorn N.
Published: November 2022

W thin films doped with nitrogen impurities display superconductivity with Tc close to 5 K when the microstructure shows coexistence of amorphous nitrides.
Simple lattice model of surface-confined metal–organic networks consisting of linear nitrogen-bearing molecules and transition metals
Authors: Gorbunov Vitaly A. , Uliankina Anastasiia I. , Myshlyavtsev Alexander V.
Published: November 2022

How do the size of nitrogen-bearing groups of the linker-molecule and the type of the coordinating metal center affect the phase behavior and thermal stability of surface-confined metal–organic layers?
Deciphering O-glycoprotease substrate preferences with O-Pair Search
Authors: Riley Nicholas M. , Bertozzi Carolyn R.
Published: November 2022

O-Pair search can be used to discover O-glycoprotease cleavage motifs. This workflow is demonstrated here for three O-glycoproteases, including immunomodulating metalloprotease (IMPa) from P. aeruginosa that is broadly useful for O-glycoproteomic applications.
Circumventing thermodynamics to synthesize highly metastable perovskites: nano eggshells of SnHfO3
Authors: Gabilondo Eric A. , Newell Ryan J. , Chestnut Jessica , Weng James , Jones Jacob L. , Maggard Paul A.
Published: November 2022

Through a multifaceted synthetic technique and leveraging surface diffusion, a new Sn(ii)-perovskite, SnHfO3, has been synthesized as nano eggshells for the first time.
Highly efficient electrocatalytic biomass valorization over a perovskite-derived nickel phosphide catalyst
Authors: Gong Wanbing , Li Jiayi , Ma Jun , Liu Dong , Long Ran , Xiong Yujie
Published: November 2022

A perovskite-derived nickel phosphide catalyst exhibits excellent electrocatalytic oxidation performance for biomass valorization to replace the competitive oxygen evolution reaction.
Recycling diaper waste for the fabrication of flexible supercapacitors and the role of lead ferrite (PbFe11CrO19) in enhancing their capacitance
Authors: Mendoza-Jiménez Ricardo , Oliva Jorge , Mtz-Enriquez Arturo Isaias , Rodriguez-Gonzalez Vicente , Diaz-Castañon Sergio
Published: November 2022

Supercapacitors were made with diaper waste. The best device produced a capacitance and energy density of 1894.8 F g−1 and 164.4 W h kg−1, respectively. By adding PbFe11CrO19 to SC electrodes, the capacitance was enhanced by 360%.
Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation
Authors: Sunke Rajnikanth , Ahmed Khan Shabbir , Kumara Swamy K. C.
Published: November 2022

Indolyl substituted iodo-sulfonamides deliver 2-aryl(sulfonamido)indoles in the presence of Pd(OAc)2/Ph3P/Et3N; the same reactants, using Pd(OAc)2/Ph3P/K2CO3, afford indole-fused sultams.