bluuebunny/crossref_metadata_2025 huggingface dataset:
Transition Zone Morphology Dynamics of Dissolved Oxygen (DO) in a Salinity‐Impacted Hyporheic Zone
Authors: Jiang Qihao , Kaufman Matthew H. , Jin Guangqiu , Tang Hongwu , Xu Junzeng
Published: September 2022

Freshwater salinization is a common yet underappreciated environmental problem in rivers, yet how this process impacts the transport of dissolved oxygen (DO) in the hyporheic zone remains unknown. Using flume experiments and numerical simulations, we have demonstrated that the morphological dynamics of the DO transition zone are controlled by the dimensionless number Da·Ra−2, a measure of the rate of aerobic respiration to free convection. At low Da·Ra−2, the oxic front breaks up into fingers which subsequently grow, and leads to accelerating of DO transport and shrinking of the anaerobic zone in the underlying sediment. As Da·Ra−2 increases, the growth rate of the instability decreases, and the DO plume fingers are suppressed and delayed compared with the saltwater‐freshwater interface, the mixing area between saltwater and freshwater. These results indicate that the freshwater salinization syndrome can have significant impacts on the functioning of aquifer ecosystems unless regulated and managed effectively.
Northern Hemisphere Stratosphere‐Troposphere Circulation Change in CMIP6 Models: 1. Inter‐Model Spread and Scenario Sensitivity
Authors: Karpechko Alexey Yu. , Afargan‐Gerstman Hilla , Butler Amy H. , Domeisen Daniela I. V. , Kretschmer Marlene , Lawrence Zachary , Manzini Elisa , Sigmond Michael , Simpson Isla R. , Wu Zheng
Published: September 2022

Projected changes in the Northern Hemisphere stratospheric polar vortex are analyzed using Climate Model Intercomparison Project Phase 6 experiments. Previous studies showed that projections of the wintertime zonally averaged polar vortex strength diverge widely between climate models with no agreement on the sign of change, and that this uncertainty contributes to the regional climate change uncertainty. Here, we show that there remains large uncertainty in the projected strength of the polar vortex in experiments with global warming levels ranging from moderate (SSP245 runs) to large (Abrupt‐4xCO2 runs), and that the uncertainty maximizes in winter. Partitioning of the uncertainty in wintertime polar vortex strength projections reveals that, by the end of the 21st century, model uncertainty contributes half of the total uncertainty, with scenario uncertainty contributing only 10%. Regression analysis shows that up to 20% of the intermodel spread in projected precipitation over the Iberian Peninsula and northwestern US, and 20%–30% in near‐surface temperature over western US and northern Eurasian, can be associated with the spread in vortex strength projections after accounting for global warming. While changes in the magnitude and sign of the zonally averaged vortex strength are uncertain, most models (>95%) predict an eastward shift of the vortex by 8°–20° degrees in longitude relative to its historical location with the magnitude of the shift increasing for larger global warming levels. There is less agreement across models on a latitudinal shift, whose direction and magnitude correlate with changes in the zonally averaged vortex strength so that vortex weakening/strengthening corresponds to a southward/poleward shift.
Highly efficient passive Tesla valves for microfluidic applications
Authors: Bohm Sebastian , Phi Hai Binh , Moriyama Ayaka , Runge Erich , Strehle Steffen , König Jörg , Cierpka Christian , Dittrich Lars
Published: September 2022

A multistage optimization method is developed yielding Tesla valves that are efficient even at low flow rates, characteristic, e.g., for almost all microfluidic systems, where passive valves have intrinsic advantages over active ones. We report on optimized structures that show a diodicity of up to 1.8 already at flow rates of 20 μl s−1 corresponding to a Reynolds number of 36. Centerpiece of the design is a topological optimization based on the finite element method. It is set-up to yield easy-to-fabricate valve structures with a small footprint that can be directly used in microfluidic systems. Our numerical two-dimensional optimization takes into account the finite height of the channel approximately by means of a so-called shallow-channel approximation. Based on the three-dimensionally extruded optimized designs, various test structures were fabricated using standard, widely available microsystem manufacturing techniques. The manufacturing process is described in detail since it can be used for the production of similar cost-effective microfluidic systems. For the experimentally fabricated chips, the efficiency of the different valve designs, i.e., the diodicity defined as the ratio of the measured pressure drops in backward and forward flow directions, respectively, is measured and compared to theoretical predictions obtained from full 3D calculations of the Tesla valves. Good agreement is found. In addition to the direct measurement of the diodicities, the flow profiles in the fabricated test structures are determined using a two-dimensional microscopic particle image velocimetry (μPIV) method. Again, a reasonable good agreement of the measured flow profiles with simulated predictions is observed.
International pooled patient-level meta-analysis of ketamine infusion for depression: In search of clinical moderators
Authors: Price Rebecca B. , Kissel Nicholas , Baumeister Andrew , Rohac Rebecca , Woody Mary L. , Ballard Elizabeth D. , Zarate Carlos A. , Deakin William , Abdallah Chadi G. , Feder Adriana , Charney Dennis S. , Grunebaum Michael F. , Mann J. John , Mathew Sanjay J. , Gallagher Bronagh , McLoughlin Declan M. , Murrough James W. , Muthukumaraswamy Suresh , McMillan Rebecca , Sumner Rachael , Papakostas George , Fava Maurizio , Hock Rebecca , Phillips Jennifer L. , Blier Pierre , Shiroma Paulo , Šóš Peter , Su Tung-Ping , Chen Mu-Hong , Tiger Mikael , Lundberg Johan , Wilkinson Samuel T. , Wallace Meredith L.
Published: September 2022

Depression is disabling and highly prevalent. Intravenous (IV) ketamine displays rapid-onset antidepressant properties, but little is known regarding which patients are most likely to benefit, limiting personalized prescriptions. We identified randomized controlled trials of IV ketamine that recruited individuals with a relevant psychiatric diagnosis (e.g., unipolar or bipolar depression; post-traumatic stress disorder), included one or more control arms, did not provide any other study-administered treatment in conjunction with ketamine (although clinically prescribed concurrent treatments were allowable), and assessed outcome using either the Montgomery-Åsberg Depression Rating Scale or the Hamilton Rating Scale for Depression (HRSD-17). Individual patient-level data for at least one outcome was obtained from 17 of 25 eligible trials [pooled n = 809]. Rates of participant-level data availability across 33 moderators that were solicited from these 17 studies ranged from 10.8% to 100% (median = 55.6%). After data harmonization, moderators available in at least 40% of the dataset were tested sequentially, as well as with a data-driven, combined moderator approach. Robust main effects of ketamine on acute [~24-hours; β*(95% CI) = 0.58 (0.44, 0.72); p < 0.0001] and post-acute [~7 days; β*(95% CI) = 0.38 (0.23, 0.54); p < 0.0001] depression severity were observed. Two study-level moderators emerged as significant: ketamine effects (relative to placebo) were larger in studies that required a higher degree of previous treatment resistance to federal regulatory agency-approved antidepressant medications (≥2 failed trials) for study entry; and in studies that used a crossover design. A comprehensive data-driven search for combined moderators identified statistically significant, but modest and clinically uninformative, effects (effect size r ≤ 0.29, a small-medium effect). Ketamine robustly reduces depressive symptoms in a heterogeneous range of patients, with benefit relative to placebo even greater in patients more resistant to prior medications. In this largest effort to date to apply precision medicine approaches to ketamine treatment, no clinical or demographic patient-level features were detected that could be used to guide ketamine treatment decisions.

Review Registration: PROSPERO Identifier: CRD42021235630
PP6 negatively modulates LUBAC-mediated M1-ubiquitination of RIPK1 and c-FLIPL to promote TNFα-mediated cell death
Authors: Wu Guowei , Li Dekang , Liang Wei , Sun Weimin , Xie Xingxing , Tong Yilun , Shan Bing , Zhang Mengmeng , Lu Xiaojuan , Yuan Junying , Li Ying
Published: September 2022

Activation of TNFR1 by TNFα induces the formation of a membrane-associated, intracellular complex termed complex I. Complex I orchestrates a complex pattern of modifications on key regulators of TNF signaling that collectively determines the cell fate by activating pro-survival or executing cell death programs. However, the regulatory mechanism of complex I in cell-fate decision is not fully understood. Here we identify protein phosphatase-6 (PP6) as a previously unidentified component of complex I. Loss of PP6 protects cells from TNFα-mediated cell death. The role of PP6 in regulating cell death requires its phosphatase activity and regulatory subunits. Further mechanistic studies show that PP6 modulates LUBAC-mediated M1-ubiquitination of RIPK1 and c-FLIPL to promote RIPK1 activation and c-FLIPL degradation. We also show that melanoma-associated PP6 inactivating mutants offer resistance to cell death due to the loss of sensitivity to TNFα. Thus, our study provides a potential mechanism by which melanoma-related PP6 inactivating mutations promote cancer progression.
Regulating Nrf2-GPx4 axis by bicyclol can prevent ferroptosis in carbon tetrachloride-induced acute liver injury in mice
Authors: Zhao Tianming , Yu Zihan , Zhou Lei , Wang Xiaoyu , Hui Yangyang , Mao Lihong , Fan Xiaofei , Wang Bangmao , Zhao Xingliang , Sun Chao
Published: September 2022

Hepatocellular death is a sensitive parameter for detecting acute liver injury (ALI) of toxic, viral, metabolic, and autoimmune origin. Ferroptosis has recently been implicated in carbon tetrachloride (CCl4)-induced ALI. However, the underpinning mechanism and mechanistic basis remain elusive. In this study, bicyclol, a proprietary hepatoprotectant in China, and ferroptosis-specific inhibitor ferrostatin-1 (Fer-1) were administered in CCl4-injured mice. A panel of ferroptosis-related markers, including mitochondria morphology, reactive oxygen species production, protein adducts in response to lipid peroxidation, and key modulators of ferroptotic process, was determined in vivo. Erastin-treated L-O2 hepatocytes were transfected with glutathione peroxidase 4 (GPx4) or nuclear factor erythroid 2-related factor 2 (Nrf2) siRNA to delineate the pathway of bicyclol against ferroptosis in vitro. As a result, CCl4 led to iron accumulation, excessive reactive oxygen species production, enhanced lipid peroxidation, and characteristic morphological changes in mitochondria, along with a decrease in GPx4 and xCT protein levels in ALI mice liver, all of which were generally observed in ferroptosis. The use of Fer-1 further corroborated that ferroptosis is responsible for liver damage. Bicyclol exerted its hepatoprotection by preventing the aforesaid ferroptotic process. Furthermore, bicyclol alleviated erastin-induced cellular inviability, destruction, and lipid peroxidation in vitro. Knockdown of GPx4 diminished these protective activities against perturbations associated with ferroptosis in L-O2 hepatocytes. Additionally, Nrf2 silencing drastically reduced GPx4 levels, and further impeded the medicinal effects of bicyclol. In summary, positively regulating Nrf2-GPx4 axis by bicyclol can prevent ferroptosis in CCl4-induced ALI in mice.
High p16 expression and heterozygous RB1 loss are biomarkers for CDK4/6 inhibitor resistance in ER+ breast cancer
Authors: Palafox Marta , Monserrat Laia , Bellet Meritxell , Villacampa Guillermo , Gonzalez-Perez Abel , Oliveira Mafalda , Brasó-Maristany Fara , Ibrahimi Nusaibah , Kannan Srinivasaraghavan , Mina Leonardo , Herrera-Abreu Maria Teresa , Òdena Andreu , Sánchez-Guixé Mònica , Capelán Marta , Azaro Analía , Bruna Alejandra , Rodríguez Olga , Guzmán Marta , Grueso Judit , Viaplana Cristina , Hernández Javier , Su Faye , Lin Kui , Clarke Robert B. , Caldas Carlos , Arribas Joaquín , Michiels Stefan , García-Sanz Alicia , Turner Nicholas C. , Prat Aleix , Nuciforo Paolo , Dienstmann Rodrigo , Verma Chandra S. , Lopez-Bigas Nuria , Scaltriti Maurizio , Arnedos Monica , Saura Cristina , Serra Violeta
Published: September 2022

CDK4/6 inhibitors combined with endocrine therapy have demonstrated higher antitumor activity than endocrine therapy alone for the treatment of advanced estrogen receptor-positive breast cancer. Some of these tumors are de novo resistant to CDK4/6 inhibitors and others develop acquired resistance. Here, we show that p16 overexpression is associated with reduced antitumor activity of CDK4/6 inhibitors in patient-derived xenografts (n = 37) and estrogen receptor-positive breast cancer cell lines, as well as reduced response of early and advanced breast cancer patients to CDK4/6 inhibitors (n = 89). We also identified heterozygous RB1 loss as biomarker of acquired resistance and poor clinical outcome. Combination of the CDK4/6 inhibitor ribociclib with the PI3K inhibitor alpelisib showed antitumor activity in estrogen receptor-positive non-basal-like breast cancer patient-derived xenografts, independently of PIK3CA, ESR1 or RB1 mutation, also in drug de-escalation experiments or omitting endocrine therapy. Our results offer insights into predicting primary/acquired resistance to CDK4/6 inhibitors and post-progression therapeutic strategies.
Integrated cohort of esophageal squamous cell cancer reveals genomic features underlying clinical characteristics
Authors: Li Minghao , Zhang Zicheng , Wang Qianrong , Yi Yan , Li Baosheng
Published: September 2022

Esophageal squamous cell cancer (ESCC) is the major pathologic type of esophageal cancer in Asian population. To systematically evaluate the mutational features underlying clinical characteristics, we establish the integrated dataset of ESCC-META that consists of 1930 ESCC genomes from 33 datasets. The data process pipelines lead to well homogeneity of this integrated cohort for further analysis. We identified 11 mutational signatures in ESCC, some of which are related to clinical features, and firstly detect the significant mutated hotspots in TGFBR2 and IRF2BPL. We screen the survival related mutational features and found some genes had different prognostic impacts between early and late stage, such as PIK3CA and NFE2L2. Based on the results, an applicable approach of mutational score is proposed and validated to predict prognosis in ESCC. As an open-sourced, quality-controlled and updating mutational landscape, the ESCC-META dataset could facilitate further genomic and translational study in this field.
Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes
Authors: McColl Kit , House Robert A. , Rees Gregory J. , Squires Alexander G. , Coles Samuel W. , Bruce Peter G. , Morgan Benjamin J. , Islam M. Saiful
Published: September 2022

Lithium-rich disordered rocksalt cathodes display high capacities arising from redox chemistry on both transition-metal ions (TM-redox) and oxygen ions (O-redox), making them promising candidates for next-generation lithium-ion batteries. However, the atomic-scale mechanisms governing O-redox behaviour in disordered structures are not fully understood. Here we show that, at high states of charge in the disordered rocksalt Li2MnO2F, transition metal migration is necessary for the formation of molecular O2 trapped in the bulk. Density functional theory calculations reveal that O2 is thermodynamically favoured over other oxidised O species, which is confirmed by resonant inelastic X-ray scattering data showing only O2 forms. When O-redox involves irreversible Mn migration, this mechanism results in a path-dependent voltage hysteresis between charge and discharge, commensurate with the hysteresis observed electrochemically. The implications are that irreversible transition metal migration should be suppressed to reduce the voltage hysteresis that afflicts O-redox disordered rocksalt cathodes.
Chiral monoterpenes reveal forest emission mechanisms and drought responses
Authors: Byron Joseph , Kreuzwieser Juergen , Purser Gemma , van Haren Joost , Ladd S. Nemiah , Meredith Laura K. , Werner Christiane , Williams Jonathan
Published: September 2022

Monoterpenes (C10H16) are emitted in large quantities by vegetation to the atmosphere (>100 TgC year−1), where they readily react with hydroxyl radicals and ozone to form new particles and, hence, clouds, affecting the Earth’s radiative budget and, thereby, climate change1–3. Although most monoterpenes exist in two chiral mirror-image forms termed enantiomers, these (+) and (−) forms are rarely distinguished in measurement or modelling studies4–6. Therefore, the individual formation pathways of monoterpene enantiomers in plants and their ecological functions are poorly understood. Here we present enantiomerically separated atmospheric monoterpene and isoprene data from an enclosed tropical rainforest ecosystem in the absence of ultraviolet light and atmospheric oxidation chemistry, during a four-month controlled drought and rewetting experiment7. Surprisingly, the emitted enantiomers showed distinct diel emission peaks, which responded differently to progressive drying. Isotopic labelling established that vegetation emitted mainly de novo-synthesized (−)-α-pinene, whereas (+)-α-pinene was emitted from storage pools. As drought progressed, the source of (−)-α-pinene emissions shifted to storage pools, favouring cloud formation. Pre-drought mixing ratios of both α-pinene enantiomers correlated better with other monoterpenes than with each other, indicating different enzymatic controls. These results show that enantiomeric distribution is key to understanding the underlying processes driving monoterpene emissions from forest ecosystems and predicting atmospheric feedbacks in response to climate change.
Brainstem ADCYAP1+ neurons control multiple aspects of sickness behaviour
Authors: Ilanges Anoj , Shiao Rani , Shaked Jordan , Luo Ji-Dung , Yu Xiaofei , Friedman Jeffrey M.
Published: September 2022

Infections induce a set of pleiotropic responses in animals, including anorexia, adipsia, lethargy and changes in temperature, collectively termed sickness behaviours1. Although these responses have been shown to be adaptive, the underlying neural mechanisms have not been elucidated2–4. Here we use of a set of unbiased methodologies to show that a specific subpopulation of neurons in the brainstem can control the diverse responses to a bacterial endotoxin (lipopolysaccharide (LPS)) that potently induces sickness behaviour. Whole-brain activity mapping revealed that subsets of neurons in the nucleus of the solitary tract (NTS) and the area postrema (AP) acutely express FOS after LPS treatment, and we found that subsequent reactivation of these specific neurons in FOS2A-iCreERT2 (also known as TRAP2) mice replicates the behavioural and thermal component of sickness. In addition, inhibition of LPS-activated neurons diminished all of the behavioural responses to LPS. Single-nucleus RNA sequencing of the NTS–AP was used to identify LPS-activated neural populations, and we found that activation of ADCYAP1+ neurons in the NTS–AP fully recapitulates the responses elicited by LPS. Furthermore, inhibition of these neurons significantly diminished the anorexia, adipsia and locomotor cessation seen after LPS injection. Together these studies map the pleiotropic effects of LPS to a neural population that is both necessary and sufficient for canonical elements of the sickness response, thus establishing a critical link between the brain and the response to infection.
Geographical characterisation of British urban form and function using the spatial signatures framework
Authors: Fleischmann Martin , Arribas-Bel Daniel
Published: September 2022

The spatial arrangement of the building blocks that make up cities matters to understand the rules directing their dynamics. Our study outlines the development of the national open-source classification of space according to its form and function into a single typology. We create a bespoke granular spatial unit, the enclosed tessellation, and measure characters capturing its form and function within a relevant spatial context. Using K-Means clustering of individual enclosed tessellation cells, we generate a classification of space for the whole of Great Britain. Contiguous enclosed tessellation cells belonging to the same class are merged forming spatial signature geometries and their typology. We identify 16 distinct types of spatial signatures stretching from wild countryside, through various kinds of suburbia to types denoting urban centres according to their regional importance. The open data product presented here has the potential to serve as boundary delineation for other researchers interested in urban environments and policymakers looking for a unique perspective on cities and their structure.
A machine learning technique for identifying DNA enhancer regions utilizing CIS-regulatory element patterns
Authors: Butt Ahmad Hassan , Alkhalifah Tamim , Alturise Fahad , Khan Yaser Daanial
Published: September 2022

Enhancers regulate gene expression, by playing a crucial role in the synthesis of RNAs and proteins. They do not directly encode proteins or RNA molecules. In order to control gene expression, it is important to predict enhancers and their potency. Given their distance from the target gene, lack of common motifs, and tissue/cell specificity, enhancer regions are thought to be difficult to predict in DNA sequences. Recently, a number of bioinformatics tools were created to distinguish enhancers from other regulatory components and to pinpoint their advantages. However, because the quality of its prediction method needs to be improved, its practical application value must also be improved. Based on nucleotide composition and statistical moment-based features, the current study suggests a novel method for identifying enhancers and non-enhancers and evaluating their strength. The proposed study outperformed state-of-the-art techniques using fivefold and tenfold cross-validation in terms of accuracy. The accuracy from the current study results in 86.5% and 72.3% in enhancer site and its strength prediction respectively. The results of the suggested methodology point to the potential for more efficient and successful outcomes when statistical moment-based features are used. The current study's source code is available to the research community at https://github.com/csbioinfopk/enpred.
Spatio-temporal predictions of COVID-19 test positivity in Uppsala County, Sweden: a comparative approach
Authors: van Zoest Vera , Varotsis Georgios , Menzel Uwe , Wigren Anders , Kennedy Beatrice , Martinell Mats , Fall Tove
Published: September 2022

Previous spatio-temporal COVID-19 prediction models have focused on the prediction of subsequent number of cases, and have shown varying accuracy and lack of high geographical resolution. We aimed to predict trends in COVID-19 test positivity, an important marker for planning local testing capacity and accessibility. We included a full year of information (June 29, 2020–July 4, 2021) with both direct and indirect indicators of transmission, e.g. mobility data, number of calls to the national healthcare advice line and vaccination coverage from Uppsala County, Sweden, as potential predictors. We developed four models for a 1-week-window, based on gradient boosting (GB), random forest (RF), autoregressive integrated moving average (ARIMA) and integrated nested laplace approximations (INLA). Three of the models (GB, RF and INLA) outperformed the naïve baseline model after data from a full pandemic wave became available and demonstrated moderate accuracy. An ensemble model of these three models slightly improved the average root mean square error to 0.039 compared to 0.040 for GB, RF and INLA, 0.055 for ARIMA and 0.046 for the naïve model. Our findings indicate that the collection of a wide variety of data can contribute to spatio-temporal predictions of COVID-19 test positivity.
Synaptic inputs to displaced intrinsically-photosensitive ganglion cells in macaque retina
Authors: Bordt Andrea S. , Patterson Sara S. , Kuchenbecker James A. , Mazzaferri Marcus A. , Yearick Joel N. , Yang Emma R. , Ogilvie Judith Mosinger , Neitz Jay , Marshak David W.
Published: September 2022

Ganglion cells are the projection neurons of the retina. Intrinsically photosensitive retinal ganglion cells (ipRGCs) express the photopigment melanopsin and also receive input from rods and cones via bipolar cells and amacrine cells. In primates, multiple types of ipRGCs have been identified. The ipRGCs with somas in the ganglion cell layer have been studied extensively, but less is known about those with somas in the inner nuclear layer, the “displaced” cells. To investigate their synaptic inputs, three sets of horizontal, ultrathin sections through central macaque retina were collected using serial block-face scanning electron microscopy. One displaced ipRGC received nearly all of its excitatory inputs from ON bipolar cells and would therefore be expected to have ON responses to light. In each of the three volumes, there was also at least one cell that had a large soma in the inner nuclear layer, varicose axons and dendrites with a large diameter that formed large, extremely sparse arbor in the outermost stratum of the inner plexiform layer. They were identified as the displaced M1 type of ipRGCs based on this morphology and on the high density of granules in their somas. They received extensive input from amacrine cells, including the dopaminergic type. The vast majority of their excitatory inputs were from OFF bipolar cells, including two subtypes with extensive input from the primary rod pathway. They would be expected to have OFF responses to light stimuli below the threshold for melanopsin or soon after the offset of a light stimulus.
Assessment of the uncertainty and interpretability of deep learning models for mapping soil salinity using DeepQuantreg and game theory
Authors: Mohammadifar Aliakbar , Gholami Hamid , Golzari Shahram
Published: September 2022

This research introduces a new combined modelling approach for mapping soil salinity in the Minab plain in southern Iran. This study assessed the uncertainty (with 95% confidence limits) and interpretability of two deep learning (DL) models (deep boltzmann machine—DBM) and a one dimensional convolutional neural networks (1DCNN)—long short-term memory (LSTM) hybrid model (1DCNN-LSTM) for mapping soil salinity by applying DeepQuantreg and game theory (Shapely Additive exPlanations (SHAP) and permutation feature importance measure (PFIM)), respectively. Based on stepwise forward regression (SFR)—a technique for controlling factor selection, 18 of 47 potential controls were selected as effective factors. Inventory maps of soil salinity were generated based on 476 surface soil samples collected for measuring electrical conductivity (ECe). Based on Taylor diagrams, both DL models performed well (RMSE < 20%), but the 1DCNN-LSTM hybrid model performed slightly better than the DBM model. The uncertainty range associated with the ECe values predicted by both models estimated using DeepQuantilreg were similar (0–25 dS/m for the 1DCNN-LSTM hybrid model and 2–27 dS/m for DBM model). Based on the SFR and PFIM (permutation feature importance measure)—a measure in game theory, four controls (evaporation, sand content, precipitation and vertical distance to channel) were selected as the most important factors for soil salinity in the study area. The results of SHAP (Shapely Additive exPlanations)—the second measure used in game theory—suggested that five factors (evaporation, vertical distance to channel, sand content, cation exchange capacity (CEC) and digital elevation model (DEM)) have the strongest impact on model outputs. Overall, the methodology used in this study is recommend for applications in other regions for mapping environmental problems.
Research on construction deformation prediction and disaster warning of karst slope based on mutation theory
Authors: Qi Yanli , Tian Gang , Bai Mingzhou , Song Linlin
Published: September 2022

In the study of deformation prediction and disaster warning during karst slope construction, the influencing factors and deformation law should be comprehensively considered. The layout of the deformation monitoring points of karst slope is affected by the thickness of karst overburden soil, dissolution and fragmentation degree, karst development degree, slope cracking degree, fault or weak interlayer and other factors. In this paper, the author aimed at the problem of construction deformation prediction and disaster warning of karst slope, proposed an improved model of cusp mutation by applying and optimizing the cusp mutation model, analysed the deformation trend and sudden change type of the slope, and obtained the critical control early warning value of slope deformation. Therefore, it is feasible to analyse the deformation and mutation characteristics of karstified slope by using a virtual reality-mutation model. In addition, based on the empirical formula of the slope sliding limit deformation rate and grey prediction model, the critical control warning value of slope deformation is obtained, which provides a basis to quantify the deformation index of risk evaluation. This method provides a new idea to predict karst slope construction deformation and catastrophic deformation warning and has a reference value for similar engineering examples.
Construction of a culture protocol for functional bile canaliculi formation to apply human iPS cell-derived hepatocytes for cholestasis evaluation
Authors: Horiuchi Shinichiro , Kuroda Yukie , Oyafuso Ryota , Komizu Yuji , Takaki Takashi , Maeda Kazuya , Ishida Seiichi
Published: September 2022

Cholestatic toxicity causes the failure of pharmaceutical agents during drug development and, thus, should be identified at an early stage of drug discovery and development. The formation of functional bile canaliculi in human hepatocytes is required for in vitro cholestasis toxicity tests conducted during the early stage of drug development. In this study, we investigated the culture conditions required for the formation of bile canaliculi using human-induced pluripotent stem cell-derived hepatocytes (hiPSC-Heps). When hiPSC-Heps were sandwich-cultured under the condition we established, extended bile canaliculi were formed on the whole well surfaces. Biliary efflux transporters were localized in the formed bile canaliculi structures which had junctional complexes. After the model substrates of the biliary efflux transporters were taken up into cells, their subsequent excretion into the bile canaliculi was observed and was found to be impeded by each inhibitor of the biliary efflux transporter. These findings suggest that bile canaliculi have transporter-specific bile excretion abilities. We will continue to study the application of this culture protocol to cell-based cholestasis assay system. As a result, the culture protocol could lead to a highly predictable, robust cell-based cholestasis assay system because it forms functional bile canaliculi reproducibly and efficiently.
An innovative model for conductivity of graphene-based system by networked nano-sheets, interphase and tunneling zone
Authors: Zare Yasser , Rhee Kyong Yop
Published: September 2022

This study presents a simple equation for the conductivity of graphene-filled nanocomposites by considering graphene size, amount of filler in the net, interphase deepness, tunneling size, and properties of the net. The amount of nanoparticles in the net is related to the percolation threshold and effective filler content. The novel model is analyzed using the measured conductivity of numerous examples and the factors’ impacts on the conductivity. Both experienced data and parametric examinations verify the correctness of the novel model. Among the studied factors, filler amount and interphase deepness implicitly manage the conductivity from 0 to 7 S/m. It is explained that the interphase amount affects the operative quantity of nanofiller, percolation threshold, and amount of nets.
An intelligent methodology for the use of multi-criteria decision analysis in impact assessment: the case of real-world offshore construction
Authors: Tsakalerou Mariza , Efthymiadis Damianos , Abilez Almat
Published: September 2022

Impact assessment of large-scale projects involves a plethora of technical, economic, social, and environmental factors that must be assessed along with the expectations of the stakeholders of each project. While impact assessment is required for a development project to receive regulatory approval to proceed, it is also an invaluable tool during the design phase of complex projects, providing for informed decision-making. Molding multiple perspectives of diverse stakeholders into a single collective choice is a key challenge in the process. Multi-Criteria Decision Analysis (MCDA) is the methodology used to rank a finite number of decision options based on a finite set of evaluation criteria. Different MCDA techniques, however, may lead to different decisions when applied to the same problem while different sets of criteria and weights may rank choices differently even when the same method is applied. This is a cause of concern, and even acrimony, amongst the stakeholders, often leading to protracted periods of negotiation and delaying project launching. The objective of this paper is to present an intelligent system to ameliorate the effects of the inherent subjectivity in MCDA techniques and to develop a consensus amongst the stakeholders in a data-driven setting. A case study from the field of offshore construction is used as a running example. This case study, informed by real-world experience in the field, demonstrates succinctly the issues involved and illustrates clearly the proposed intelligent methodology and its merits.
A population-level data linkage study to explore the association between health facility level factors and unintended pregnancy in Bangladesh
Authors: Khan Md. Nuruzzaman , Harris Melissa L. , Huda Md. Nazmul , Loxton Deborah
Published: September 2022

The objective of this study was to investigate the effects of health facility-level factors, including the availability of long-acting modern contraceptives (LAMC) at the nearest health facility and its distance from women’s homes, on the occurrence of unintended pregnancy that resulted in a live birth. We analysed the 2017/18 Bangladesh Demographic and Health Survey data linked with the 2017 Bangladesh Health Facility Survey. The weighted sample comprised 5051 women of reproductive age, who had at least one live birth within 3 years of the survey. The outcome variable was women’s intention to conceive at their most recent pregnancy that ended with a live birth. The major explanatory variables were the health facility level factors. A multi-level multinomial logistic regression model was used to assess the association of the outcome variable with explanatory variables adjusting for individual, household, and community-level factors. Nearly 21% of the total respondents reported that their most recent live birth was unintended at conception. Better health facility management systems and health facility infrastructure were found to be 14–30% protective of unintended pregnancy that resulted in a live birth. LAMC availability at the nearest health facility was associated with a 31% reduction (95% CI 0.50–0.92) in the likelihood of an unwanted pregnancy that resulted in a live birth. Health facility readiness to provide LAMC was also associated with a 14–16% reduction in unintended pregnancies that ended with a birth. The likelihood of unintended pregnancy that resulted in a live birth increased around 20–22% with the increased distance of the nearest health facility providing LAMC from the women’s homes.The availability of health facilities near women’s homes and access to LAMC can significantly reduce unintended pregnancy. Policies and programs to ensure access and affordability of LAMC across current health facilities and to increase the number of health facilities are recommended.
Repetitive nociceptive stimulation increases spontaneous neural activation similar to nociception-induced activity in mouse insular cortex
Authors: Kobayashi Shutaro , O’Hashi Kazunori , Kobayashi Masayuki
Published: September 2022

Recent noninvasive neuroimaging technology has revealed that spatiotemporal patterns of cortical spontaneous activity observed in chronic pain patients are different from those in healthy subjects, suggesting that the spontaneous cortical activity plays a key role in the induction and/or maintenance of chronic pain. However, the mechanisms of the spontaneously emerging activities supposed to be induced by nociceptive inputs remain to be established. In the present study, we investigated spontaneous cortical activities in sessions before and after electrical stimulation of the periodontal ligament (PDL) by applying wide-field and two-photon calcium imaging to anesthetized GCaMP6s transgenic mice. First, we identified the sequential cortical activation patterns from the primary somatosensory and secondary somatosensory cortices to the insular cortex (IC) by PDL stimulation. We, then found that spontaneous IC activities that exhibited a similar spatiotemporal cortical pattern to evoked activities by PDL stimulation increased in the session after repetitive PDL stimulation. At the single-cell level, repetitive PDL stimulation augmented the synchronous neuronal activity. These results suggest that cortical plasticity induced by the repetitive stimulation leads to the frequent PDL stimulation-evoked-like spontaneous IC activation. This nociception-induced spontaneous activity in IC may be a part of mechanisms that induces chronic pain.
Coexistence of solid and liquid phases in shear jammed colloidal drops
Authors: Shah Phalguni , Arora Srishti , Driscoll Michelle M.
Published: September 2022

Complex fluids exhibit a variety of exotic flow behaviours under high stresses, such as shear thickening and shear jamming. Rheology is a powerful tool to characterise these flow behaviours over the bulk of the fluid. However, this technique is limited in its ability to probe fluid behaviour in a spatially resolved way. Here, we utilise high-speed imaging and the free-surface geometry in drop impact to study the flow of colloidal suspensions. Here, we report observations of coexisting solid and liquid phases due to shear jamming caused by impact. In addition to observing Newtonian-like spreading and bulk shear jamming, we observe the transition between these regimes in the form of localised patches of jammed suspension in the spreading drop. We capture shear jamming as it occurs via a solidification front travelling from the impact point, and show that the speed of this front is set by how far the impact conditions are beyond the shear thickening transition.
A DNA tetrahedral nanomaterial-based dual-signal ratiometric electrochemical aptasensor for the detection of ochratoxin A in corn kernel samples
Authors: Li Yu-Long , Xie Fa-Ting , Yao Cao , Zhang Gui-Qun , Guan Yan , Yang Yun-Hui , Yang Jian-Mei , Hu Rong
Published: September 2022

Ochratoxin A (OTA) is a highly toxic food contaminant and is harmful to human beings.
Dual-mode ion-selective electrodes and distance-based microfluidic device for detection of multiple urinary electrolytes
Authors: Phoonsawat Kamonchanok , Ozer Tugba , Dungchai Wijitar , Henry Charles S.
Published: September 2022

Here, we developed a microfluidic paper device by combining ion-selective electrodes (ISE) and a distance-based paper device (dPAD) for simultaneous potentiometric and colorimetric detection of urine electrolytes including K+, Na+ and Cl−.
Rapid methylation of valsartan in human plasma using evaporative derivatization reagent to improve its sensitivity in MALDI-TOF mass spectrometry
Authors: Feng Chia-Hsien , Chang Yung-Ming , Weng Jing-Ru
Published: September 2022

All reagents can be removed by evaporation, which makes this derivatization method particularly suitable for MALDI-TOF MS.
Stabilizing the interface of PEO solid electrolyte to lithium metal anode via a g-C3N4 mediator
Authors: Liang Haoyue , Wang Shuhao , Ye Qi , Zeng Cheng , Tong Zhaoming , Ma Ying , Li Huiqiao
Published: September 2022

Graphitic carbon nitride is introduced to the PEO-based solid polymer electrolyte as a mediator to stabilize the interface to a lithium metal anode.
Visible-light driven 3-hydroxybutyrate synthesis from CO2 and acetone with the hybrid system of photocatalytic NADH regeneration and multi-biocatalysts
Authors: Kita Yu , Amao Yutaka
Published: September 2022

Visible-light driven 3-hydroxybutyrate from CO2 and acetone with the system of triethanolamine, zinc porphyrin, rhodium complex, NAD+ and a cell extract containing acetone carboxylase and 3-hydroxybutyrate dehydrogenase was accomplished.
Thiocarbonylphosphorane and arsorane ligands
Authors: Burt Liam K. , Hill Anthony F. , Jones Stephanie L.
Published: September 2022

Independently unstable thiocabonylphosphorane ligands SCPR3 are observed in the complexes [W(η2-SCPR3)(CO)2(Tp*)]+ (PR3 = PCy3, PMenPh3−n: n = 0, 1, 2) arising from the reactions of phosphoniocarbynes [W(CPR3)(CO)2(Tp*)]PF6 with sulfur.
Supercooling suppression in the tetrahydrofuran clathrate hydrate formation
Authors: Machida Hironobu , Sugahara Takeshi , Hirasawa Izumi
Published: September 2022

The addition of silver(ii) oxide effectively diminishes the degree of supercooling in the tetrahydrofuran hydrate formation.
Searching for correlations between geometric and spectroscopic parameters of intramolecular hydrogen bonds in porphyrin-like macrocycles
Authors: Gawinkowski Sylwester , Prakash Om
Published: September 2022

The correlation between the NH stretching frequency and the NH bond length is strong, contrary to other pairs of parameters.
Oxidative decomposition of dimethyl methylphosphonate on rutile TiO2(110): the role of oxygen vacancies
Authors: Tesvara Celine , Walenta Constantin , Sautet Philippe
Published: September 2022

Dimethyl methylphosphonate (DMMP), a simulant for toxic sarin, partly desorbs from rutile TiO2(110), and partly decomposes by P–O or C–O bond cleavages. High temperature formation of gaseous methanol and formaldehyde is facilitated at oxygen vacancies.
First-principles molecular dynamics simulations of UCln–MgCl2 (n = 3, 4) molten salts
Authors: Li Bo , Dai Sheng , Jiang De-en
Published: September 2022

First principles molecular dynamics reveals how Mg2+ influences Cl coordination around U and the U–Cl network in UCln–MgCl2 (n = 3,4).
Being negative can be positive: metal oxide anions promise more selective methane to methanol conversion
Authors: Sader Safaa , Miliordos Evangelos
Published: September 2022

Quantum chemical calculations show that ligated metal oxide anions can convert methane to methanol efficiently and facilitate the release of methanol from the metal center preventing its further oxidation.
An infrared study of CO2 activation by holmium ions, Ho+ and HoO+
Authors: Brewer Edward I. , Green Alice E. , Gentleman Alexander S. , Beardsmore Peter W. , Pearcy Philip A. J. , Meizyte Gabriele , Pickering Jack , Mackenzie Stuart R.
Published: September 2022

We report a combined experimental and computational study of carbon dioxide activation at gas-phase Ho+ and HoO+ centres.
A molecular simulation study of hepatitis B virus core protein and the nuclear protein allosteric modulators of phthalazinone derivatives
Authors: Zang Jieying , Liu Min , Liu Huan , Ding Lina
Published: September 2022

Molecular docking, 3D-QSAR, dynamic simulation, and free energy and decomposition calculation studies were carried out based on the HBc protein and phthalazinone derivatives.
Quantum dynamics of the Br2 (B-excited state) photodissociation in superfluid helium nanodroplets: importance of the recombination process
Authors: Vilà Arnau , González Miguel
Published: September 2022

The photodissociation dynamics of Br2 (B ← X excitation) in helium nanodroplets is much more complex than that of Cl2, showing very large differences in several key properties. This is the second system investigated theoretically in this context.
Unexpected low thermal expansion coefficients of pentadiamond
Authors: Liao Mingqing , Wang Yi , Wang Fengjiang , Zhu Jingchuan , Liu Zi-Kui
Published: September 2022

Though pentadiamond is softer than diamond, the thermal expansion coefficients of pentadiamond are lower than those of diamond.
Defect management by a cesium fluoride-modified electron transport layer promotes perovskite solar cells
Authors: Xu Xiangning , Lin Zhichao , Cai Qingbin , Dong Hongye , Wang Xinli , Mu Cheng
Published: September 2022

The high efficiency perovskite solar cells (PSCs) were achieved by using CsF to manage the defects in the electron transport layer (ETL) of SnO2.
A solvent-mediated conformational switch in sulfanilamide
Authors: Mato Sergio , Aguado Raúl , Mata Santiago , Alonso José Luis , León Iker
Published: September 2022

A single water molecule alters the conformational preference of sulfanilamide forcing it to switch from its initial eclipsed configuration to a staggered disposition, highlighting the importance of intermolecular interactions.
[PbX6]4−modulation and organic spacer construction for stable perovskite solar cells
Authors: Wang Lian , Chang Bohong , Li Hui , Wu Yutong , Liu Zhen , Pan Lu , Yin Longwei
Published: September 2022

This review summarizes the influence mechanism, research progress and future perspectives on perovskite stability from the perspectives of [PbX6]4−octahedra and organic spacers.
Lactobacillus johnsonii enhances the gut barrier integrity via the interaction between GAPDH and the mouse tight junction protein JAM-2
Authors: Bai Yuying , Lyu Mengying , Fukunaga Moe , Watanabe Shin , Iwatani Shun , Miyanaga Kazuhiko , Yamamoto Naoyuki
Published: September 2022

Commensal intestinal microbiota interacts with gut epithelial cells in the host by binding to specific host receptors.
Oat β-glucan and l-arabinose synergistically ameliorate glucose uptake in insulin-resistant HepG2 cells and exert anti-diabetic activity via activation of the PI3K/AKT pathway in db/db mice
Authors: Wang Sainan , Zhang Tian , Li Jiaxin , Zhang Jiarui , Swallah Mohammed Sharif , Gao Junpeng , Piao Chunhong , Lyu Bo , Yu Hansong
Published: September 2022

The OBG : LA = 1 : 1 composition synergistically ameliorated glucose uptake in IR-HepG2 cells and exerted anti-diabetic activity via activation of the PI3K/AKT pathway in db/db mice.
Increased plasma trimethylamine-N-oxide levels are associated with mild cognitive impairment in high cardiovascular risk elderly population
Authors: Buawangpong Nida , Pinyopornpanish Kanokporn , Phrommintikul Arintaya , Chindapan Nathamol , Devahastin Sakamon , Chattipakorn Nipon , Chattipakorn Siriporn C.
Published: September 2022

Plasma TMAO increased in patients with CV risk who had mild cognitive impairment. TMAO may serve as a potential biomarker for the early stages of cognitive impairment in patients with CV risk, and for MCI in patients with CV risk.
Mechanisms of the ethanol extract of Gelidium amansii for slow aging in high-fat male Drosophila by metabolomic analysis
Authors: Chen Yushi , Wang Qishen , Luo Haitao , Deng Shanggui , Tian Yongqi , Wang Shaoyun
Published: September 2022

Gelidium amansii (GA) is a kind of red alga homologous to medicine and food and is distributed all over the world.
Design and combination of magnetic ionic liquids and hydrophobic deep eutectic solvents for safer extraction of titanium: physicochemical properties and toxicity studies
Authors: Zhu Keyu , Wei Qifeng , Liu Kang , Li Huaquan , Ren Xiulian
Published: September 2022

Three magnetic ionic liquids (MILs) and five hydrophobic deep eutectic solvents (HDESs) were designed and combined for safer extraction of titanium from an HCl leachate of ilmenite for the first time.