bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of long‐term management with sleep medications on blood pressure: An Australian national study
Authors: Begum Mumtaz , Gonzalez‐Chica David , Bernardo Carla , Stocks Nigel
Published: April 2023

Background

There is mixed evidence about the impact of long‐term management with hypnotic medications on blood pressure (BP).

Aim

To estimate the effect of short‐ and long‐term management with benzodiazepine and z‐drugs (BZD) on BP.

Method

Open cohort study using deidentified electronic health records of 523,486 adult regular patients (42.3% males; mean age 59.0 ± 17.0 years) annually attending 402 Australian general practices between 2016 to 2018 (MedicineInsight database). Average treatment effects (ATE) of recorded incident BZD prescriptions in 2017 on systolic (SBP) and diastolic (DBP) BP after starting these prescriptions were computed using augmented inverse probability weighting (AIPW).

Results

In 2017, 16,623 new cases of short‐term management with BZD and 2532 cases of long‐term management with BZD were identified (incidence 3.2% and 0.5%, respectively). The mean BP among those not treated with BZD (reference group) was 130.9/77.3 mmHg. Patients prescribed short‐term BZD showed a slightly higher SBP (ATE 0.4; 95% CI 0.1, 0.7) and DBP (ATE 0.5; 95% CI 0.3, 0.7), while those on long‐term BZD prescriptions showed lower SBP (ATE ‐1.1; 95% CI −2.0, −0.2), but no effect on DBP (ATE −0.1; 95% CI −0.8, 0.5). However, long‐term BZD prescriptions showed a stronger BP‐lowering effect among patients aged 65+ years (SBP ATE −2.5 [95% CI −3.8, −1.3]; DBP ATE −1.0 [95% CI −1.7, −0.2]), but almost no effect was observed among younger patients.

Conclusion

Long‐term management with BZD had a BP‐lowering effect among older patients. These findings add new evidence to current recommendations on limiting long‐term BZD management in the elderly.
Prediction of drug permeation through microneedled skin by machine learning
Authors: Yuan Yunong , Han Yiting , Yap Chun Wei , Kochhar Jaspreet S. , Li Hairui , Xiang Xiaoqiang , Kang Lifeng
Published: April 2023

Stratum corneum is the outermost layer of the skin preventing external substances from entering human body. Microneedles (MNs) are sharp protrusions of a few hundred microns in length, which can penetrate the stratum corneum to facilitate drug permeation through skin. To determine the amount of drug delivered through skin, in vitro drug permeation testing is commonly used, but the testing is costly and time‐consuming. To address this issue, machine learning methods were employed to predict drug permeation through the skin, circumventing the need of conducting skin permeation experiments. By comparing the experimental data and simulated results, it was found extreme gradient boosting (XGBoost) was the best among the four simulation methods. It was also found that drug loading, permeation time, and MN surface area were critical parameters in the models. In conclusion, machine learning is useful to predict drug permeation profiles for MN‐facilitated transdermal drug delivery.
Metastasis risk stratification and response prediction through dynamic viable circulating tumor cell counts for rectal cancer in a neoadjuvant setting
Authors: Liu Wen‐Yang , Zhang Wen , Tang Yuan , Chen Si‐Lin , Li Ning , Lei Jun‐Qin , Shi Jin‐Ming , Wang Shu‐Lian , Li Ye‐Xiong , Zhang Kai‐Tai , Jin Jing
Published: April 2023

Purpose

Distant metastasis (DM) and neoadjuvant treatment response prediction remain critical challenges in the management of locally advanced rectal cancer (LARC). The aim of this study was to investigate the clinical relevance of viable circulating tumor cells (CTCs) for DM or response in patients with LARC in a neoadjuvant setting.

Methods

The detection of viable CTCs at different stages of treatment was planned for consecutive patients from a prospective trial. The Kaplan–Meier method, Cox proportional hazards model, and logistic regression model were utilized to analyze factors associated with DM or pathological complete response (pCR) and clinical complete response (cCR).

Results

Between December 2016 and July 2018, peripheral blood samples from 83 patients were collected before any treatment (median follow‐up time, 49.3 months). CTCs were present in 76 of 83 patients (91.6%) at baseline, and more than three CTCs detected in the blood sample was considered high risk. Only the CTC risk group was significantly associated with 3‐year metastasis‐free survival (MFS) (high risk vs. low risk, 57.1% (95% CI, 41.6–72.6) vs. 78.3% (95% CI, 65.8–90.8), p = 0.018, log‐rank test). When all the important variables were entered into the Cox model, the CTC risk group remained the only significant independent factor for DM (hazard ratio (HR), 2.74; 95% CI, 1.17–6.45, p = 0.021). The pCR and continuous cCR rates were higher in patients with a decreased number of CTCs of more than one after radiotherapy (HR, 4.00; 95% CI, 1.09–14.71, P = 0.037).

Conclusions

The dynamic detection of viable CTCs may strengthen pretreatment risk assessment and postradiotherapy decision making for LARC. This observation requires further validation in a prospective study.
Structure‐Based Drug Discovery with Deep Learning**
Authors: Özçelik R. , van Tilborg D. , Jiménez‐Luna J. , Grisoni F.
Published: April 2023

Artificial intelligence (AI) in the form of deep learning has promise for drug discovery and chemical biology, for example, to predict protein structure and molecular bioactivity, plan organic synthesis, and design moleculesde novo. While most of the deep learning efforts in drug discovery have focused on ligand‐based approaches, structure‐based drug discovery has the potential to tackle unsolved challenges, such as affinity prediction for unexplored protein targets, binding‐mechanism elucidation, and the rationalization of related chemical kinetic properties. Advances in deep‐learning methodologies and the availability of accurate predictions for protein tertiary structure advocate for arenaissancein structure‐based approaches for drug discovery guided by AI. This review summarizes the most prominent algorithmic concepts in structure‐based deep learning for drug discovery, and forecasts opportunities, applications, and challenges ahead.
De Novo Design of Polyhedral Protein Assemblies: Before and After the AI Revolution
Authors: Mallik Bhoomika Basu , Stanislaw Jenna , Alawathurage Tharindu Madhusankha , Khmelinskaia Alena
Published: April 2023

Self‐assembling polyhedral protein biomaterials have gained attention as engineering targets owing to their naturally evolved sophisticated functions, ranging from protecting macromolecules from the environment to spatially controlling biochemical reactions. Precise computational design of de novo protein polyhedra is possible through two main types of approaches: methods from first principles, using physical and geometrical rules, and more recent data‐driven methods based on artificial intelligence (AI), including deep learning (DL). Here, we retrospect first principle‐ and AI‐based approaches for designing finite polyhedral protein assemblies, as well as advances in the structure prediction of such assemblies. We further highlight the possible applications of these materials and explore how the presented approaches can be combined to overcome current challenges and to advance the design of functional protein‐based biomaterials.
Endangered indigenous rice varieties as a source of B vitamins for the undernourished population
Authors: Roy Priyabrata , Deb Debal , Suganya Arunan , Roy Brindaban , Pradeep Thalappil , Saha Tanima
Published: April 2023

Background and Objectives

Rice is a staple food for half of the world's population and plays an important role to deliver several micronutrients including B vitamins to humans. The present investigation was carried out to detect some B vitamins and estimate their concentrations in 309 traditional indica rice landraces, compared with three modern rice varieties predominantly available in the Indian market.

Findings

Liquid chromatographic examination of the rice samples demonstrated that a large number of traditional rice landraces contained considerable amounts of different B vitamins. In the landraces examined, vitamin B1 (thiamine) was recorded to be present in the range of 0.01–10.55 mg/100 g, vitamin B2 (riboflavin) 0.01–2.63 mg/100 g, vitamin B3 (niacin) 0.20–4.52 mg/100 g, vitamin B5 (pantothenic acid) 0.01–18.55 mg/100 g, vitamin B6 (pyridoxine) 0.01–0.86 mg/100 g, and vitamin B7 (biotin) 0.01–5.90 mg/100 g in different rice landraces.

Conclusion

Compared with traditional rice, modern rice cultivars seem to have substantially lower B vitamin levels. It appears that these vitamin‐rich traditional rice landraces if incorporated into daily diet, may serve to attain nutritional security of the poor.

Significance and Novelty

Our results show that many traditional rice landraces are nutritionally superior to any modern rice cultivar, even though traditional rice landraces are normally not in priority for agronomic research and development. This study shows how native rice landraces may be leveraged to constitute novel nutritious diet that could enhance human health.
An algorithm for robust multiblock partial least squares predictive modelling
Authors: Mishra Puneet , Liland Kristian Hovde
Published: April 2023

A new algorithm for robust multiblock (data fusion) modelling in the presence of outlying observations is presented. The method is a combination of a robust modelling technique called iterative reweighted partial least squares and the block order and scale‐independent component‐wise multiblock partial least squares modelling. The method is based on automatic down‐weighting of outlying observations such that their contribution is minimal during the estimation of block‐wise partial least squares models, thus leading to robust modelling minimally affected by outliers. The algorithm and test of the methods for modelling multiblock data sets (simulated and real) in the presence of outlying observation are demonstrated.
An Efficient Light‐Mediated Protocol for the Direct Amide Bond Formation via a Novel Carboxylic Acid Photoactivation Mode by Pyridine‐CBr4
Authors: Mountanea Olga G. , Psathopoulou Danai , Mantzourani Christiana , Kokotou Maroula G. , Routsi E. Alexandros , Tzeli Demeter , Kokotos Christoforos G. , Kokotos George
Published: April 2023

The direct amide bond formation between a carboxylic acid and an amine still constitutes a challenging reaction for both academia and industry. We demonstrate herein that several pairs of amines (halogen bond acceptors) and organohalogen sources may be used for the photochemical amidation reaction under either UVA or sunlight irradiation. Our studies led to the identification of pyridine‐CBr4 as an efficient agent to perform amide synthesis under LED 370 nm irradiation, avoiding super‐stoichiometric quantities. An extended substrate scope was demonstrated, showing that the widely used amino and carboxyl protecting groups are compatible with this photochemical protocol, while a number of industrially interesting products and bioactive compounds were synthesized. Direct infusion‐high resolution mass spectrometry studies suggest an unprecedented type of carboxylic acid activation mode upon irradiation, involving the generation of a symmetric anhydride, an active ester with pyridine N‐oxide and a mixed anhydride with hypobromous acid.
Computational Screening of Two‐Dimensional Metal‐Organic Frameworks as Efficient Single‐Atom Catalysts for Oxygen Reduction Reaction
Authors: Qiao Man , Xie Jiachi , Zhu Dongdong
Published: April 2023

The development of efficient and inexpensive oxygen reduction reaction (ORR) catalysts is crucial for renewable energy technologies. Herein, using density functional theory (DFT) methods and microkinetic simulations, we systematically investigated the ORR catalytic performance of a series of 2D metal‐organic frameworks M3(HADQ)2 (HADQ=2,3,6,7,10,11‐hexaamine dipyrazino quinoxaline). It shows that all 2D M3(HADQ)2 (M=Cr, Mn, Fe, Co, Ni, Cu, Ru, Rh and Pd) monolayers are metallic, due to π‐conjugated crystal orbitals centered on the central metals and ligand N atoms. The catalytic activity of M3(HADQ)2 depends on the binding strength between ORR intermediates and metal species, and can be tuned via changing the central metals. Among these candidates, Rh3(HADQ)2 and Co3(HADQ)2 show superior ORR performance to Pt (111) with high half‐wave potentials of 0.99 and 0.93 V, respectively. Moreover, the screened two catalysts have excellent intermediate‐tolerance ability for dynamic coverage of oxygenated species on the active sites. Our work provides a new path towards developing efficient ORR electrocatalysts.
Coordination versus Insertion: On the Interaction of 5 d‐Transition Metal Carbonyl Clusters with Silver(I)
Authors: Sellin Malte , Seiler Matthis , Krossing Ingo
Published: April 2023

The title silver(I) complex salts [Ag{Re2(CO)10}{Re(CO)5}2]+[Al(ORF)4]− (AgRe4; ORF=‐OC(CF3)3) and [Ag{Ir4(CO)12}2]+[Al(ORF)4]− (AgIr8) form upon reaction of Ag+[Al(ORF)4]− and the transition metal carbonyls (TMCs) Re2(CO)10 and Ir4(CO)12 respectively. The solid‐state structure of the AgRe4 cluster shows an unexpected asymmetric coordination motif, wherein the silver(I) cation has inserted into the Re−Re bond of one Re2(CO)10 moiety, while the other dirhenium carbonyl coordinates only over one metal atom towards the silver(I) cation. The AgIr8 cluster is formed by the edge‐on coordination of two Ir4 tetrahedra and the silver cation in a D2 symmetric fashion with a torsion angle of 46.5°. QTAIM analysis shows bond paths between the silver atom and the nearby metal atoms in all cases, whereas only the non‐inserted Re2(CO)10 moiety shows additional bond paths between the carbonyl ligands and the silver cation. In addition, the insertion of the Ag+ cation into the Re−Re bond in Re2(CO)10 removes the bond path between the two rhenium atoms. The EDA‐NOCV analysis suggests an increase of the interaction energy between the silver(I) cation and the respective metal carbonyls from the metal centered transition metal carbonyl (TMC) donors W(CO)6<Re2(CO)10<Os3(CO)12<Ir4(CO)12. In all cases, the dominating orbital interaction is σ‐donation [TMC]→Ag+←[TMC].
A zero‐modified geometric INAR(1) model for analyzing count time series with multiple features
Authors: Kang Yao , Zhu Fukang , Wang Dehui , Wang Shuhui
Published: April 2023

Zero inflation, zero deflation, overdispersion, and underdispersion are commonly encountered in count time series. To better describe these characteristics of counts, this article introduces a zero‐modified geometric first‐order integer‐valued autoregressive (INAR(1)) model based on the generalized negative binomial thinning operator, which contains dependent zero‐inflated geometric counting series. The new model contains the NGINAR(1) model, ZMGINAR(1) model, and GNBINAR(1) model with geometric marginals as special cases. Some statistical properties are studied, and estimates of the model parameters are derived by the Yule–Walker, conditional least squares, and maximum likelihood methods. Asymptotic properties and numerical results of the estimators are also studied. In addition, some test and forecasting problems are addressed. Three real‐data examples are given to show the flexibility and practicability of the new model.
Nematic Phase of Polar Unsymmetrical Bent‐Core Molecules
Authors: Kaur Supreet , Mohiuddin Golam , Yadav Neelam , Kumar Pal Santanu
Published: April 2023

In liquid crystalline systems, the presence of polar groups at lateral or terminal positions is fundamentally and technologically important. Bent‐core nematics composed of polar molecules with short rigid cores usually exhibit highly disordered mesomorphism with some ordered clusters that favourably nucleate within. Herein, we have systematically designed and synthesized two new series of highly polar bent‐core compounds comprised of two unsymmetrical wings, highly electronegative −CN and −NO2 groups at one end, and flexible alkyl chains at the other end. All the compounds showed a wide range of nematic phases composed of cybotactic clusters of smectic‐type (Ncyb). The birefringent microscopic textures of the nematic phase were accompanied by dark regions. Further, the cybotactic clustering in the nematic phase was characterized via temperature‐dependent XRD studies and dielectric spectroscopy. Besides, the birefringence measurements demonstrated the ordering of the molecules in the cybotactic clusters upon lowering the temperature. DFT calculations illustrated the favourable antiparallel arrangement of these polar bent‐core molecules as it minimizes the large net dipole moment of the system.
Synthetic‐Clay‐Assisted Carrier Transport in Solid Polymer Electrolytes for Enhanced All‐Solid‐State Lithium Metal Batteries
Authors: Sun Zongjie , Deng Xuetian , Yan Wei , Ding Shujiang
Published: April 2023

As a potential alternative to liquid organic electrolytes, solid polymer electrolytes provide good processability and interfacial properties. However, insufficient ionic conductivity limits its further development. To overcome these challenges, we propose the solution of synthetic clay Laponite as a filler in this work. Specifically, the ionic conductivity increases to 1.71×10−4 S cm−1 (60 °C) after adding 5 wt.% of Laponite to the PEO−LiClO4 system. The Laponite surface‘s negative charge enhances lithium ions dissociation and transport in the electrolyte: the lithium‐ion transference number increases from 0.17 to 0.34, and the exchange current density increases from 46.84 μA cm−2 to 83.68 μA cm−2. The improved electrochemical properties of composite electrolytes improve the symmetric cell‘s stability to at least 600 h. Meanwhile, the Li||LiFePO4 cells′ rate and long‐cycle performance are also significantly enhanced. This work‘s concept of Laponite filler demonstrates a novel strategy to enhance ion transport in polymer‐based electrolytes for solid‐state batteries.
Exploring FlyBase Data Using QuickSearch
Authors: Marygold Steven J. ,   the FlyBase Consortium
Published: April 2023

FlyBase (www.flybase.org) is the primary online database of genetic, genomic, and functional information about Drosophila melanogaster. The long and rich history of Drosophila research, combined with recent surges in genomic‐scale and high‐throughput technologies, means that FlyBase now houses a huge quantity of data. Researchers need to be able to query these data rapidly and intuitively, and the QuickSearch tool has been designed to meet these needs. This tool is conveniently located on the FlyBase homepage and is organized into a series of simple tabbed interfaces that cover the major data and annotation classes within the database. This article describes the functionality of all aspects of the QuickSearch tool. With this knowledge, FlyBase users will be equipped to take full advantage of all QuickSearch features and thereby gain improved access to data relevant to their research. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Using the “Search FlyBase” tab of QuickSearch

Basic Protocol 2: Using the “Data Class” tab of QuickSearch

Basic Protocol 3: Using the “References” tab of QuickSearch

Basic Protocol 4: Using the “Gene Groups” tab of QuickSearch

Basic Protocol 5: Using the “Pathways” tab of QuickSearch

Basic Protocol 6: Using the “GO” tab of QuickSearch

Basic Protocol 7: Using the “Protein Domains” tab of QuickSearch

Basic Protocol 8: Using the “Expression” tab of QuickSearch

Basic Protocol 9: Using the “GAL4 etc” tab of QuickSearch

Basic Protocol 10: Using the “Phenotype” tab of QuickSearch

Basic Protocol 11: Using the “Human Disease” tab of QuickSearch

Basic Protocol 12: Using the “Homologs” tab of QuickSearch

Support Protocol 1: Managing FlyBase hit lists
Underlying mechanisms of FHB susceptibility and resistance in wheat: Insights from a transcriptome‐based analysis
Authors: Seifi Soren , Kaviani Mina , Navabi Alireza , Lee Elizabeth A. , Booker Helen M.
Published: April 2023

Over the last two decades, several quantitative trait loci (QTLs) involved in Fusarium head blight (FHB) resistance have been identified and, in a few cases, resolved to the underlying genes. These results have not consistently translated into better FHB‐resistant wheat (Triticum aestivum L.) cultivars, nor have they necessarily extended our understanding of how resistance to FHB can be achieved. Despite considerable efforts, FHB remains a serious disease in many wheat‐growing regions. To gain insights into the underlying biology, we examined the wheat transcriptome at a key FHB developmental time point—the switch from the biotrophic to the necrotrophic phase—in both highly resistant (AAC Tenacious) and highly susceptible (Wilkin) spring wheat cultivars. Sequestering of deoxynivalenol (DON) does not appear to differentiate the resistant from the susceptible response. Instead, our findings suggest that true resistance to FHB requires the plant to downregulate or limit two pathways that are normally associated with disease resistance responses: programmed cell death (PCD) and the generation/accumulation of reactive oxygen species (ROS). Using a stringent RNA‐Seq analysis targeting the transition period of the pathogen from its biotrophic phase to its necrotrophic phase, we show that susceptibility to FHB relies on the pathogen's ability to highjack the PCD response, consistent with other necrotrophs. In contrast, the resistance response to FHB relies on the plant's ability to suppress its PCD response and limit the ROS accumulation/production that is necessary for production of DON by the pathogen.
Small‐Molecule Organic Cathodes with Carbon Coating for Highly Efficient Potassium‐ion Batteries
Authors: Guo Meichen , Tang Wu , Tang Chenbin , He Xuesong , Hu Jiahui , Fan Cong
Published: April 2023

Small‐molecule organic cathodes face dissolution in potassium‐ion batteries (PIBs). For the first time, an interesting and effective strategy is unveiled to resolve this issue by designing a new soluble small‐molecule organic compound namely [N,N’‐bis(2‐anthraquinone)]‐1,4,5,8‐naphthalenetetracarboxdiimide (NTCDI‐DAQ, 237 mAh g−1): Through the precise manipulation of carbonization temperature and time, the molecules on the surface of NTCDI‐DAQ particles can be transformed into amorphous carbon with controllable thickness. This strategy called surface self‐carbonization can form a carbon protective layer on organic cathodes and significantly increase their insolubility against liquid electrolytes without affecting the electrochemical behavior of bulk particles. As a result, the as‐obtained NTCDI‐DAQ@C sample displays significantly improved cathode performance in PIBs. In half cells, NTCDI‐DAQ@C shows superior capacity stability of 84 % compared to 35 % of NTCDI‐DAQ during 30 cycles under the same conditions. In full cells with a KC8 anode, NTCDI‐DAQ@C delivers a peak discharge capacity of 236 mAh g−1 cathode and a high energy density of 255 Wh kg−1 cathode in 0.1–2.8 V, with 40 % capacity retention during 3000 cycles at 1 A g−1. To the best of our knowledge, the integrated performance of NTCDI‐DAQ@C is among the best of soluble organic cathodes reported in PIBs.
Facile Preparation and Boosted Electrochemical Properties of Carbon/Carbon Composite Electrodes for Supercapacitors
Authors: Wang Yongqi , Lu Yunhua , Hu Zhizhi , Liu Fengbo , Xiao Guoyong , Zhao Hongbin , Zhu Jianmin , Liu Zhaobin
Published: April 2023

Herein, a kind of carbon/carbon composite electrode is prepared using polyimide (PI)/3D sphere‐like polyimide composite films as precursors, followed by carbonization. 2,2‐bis(3‐amino‐4‐hydroxyphenyl)hexafluoropropane and 4,4’‐(hexafluoroisopropylidene)diphthalic anhydride are polymerized and thermally imidized to form the matrix, and 3D sphere‐like PI particles synthesized by the solvothermal process are introduced via the in situ polymerization method. The electrochemical behaviors of C/C composites are examined in relation to the loading of the 3D sphere‐like PI crystals and carbonization temperatures. The C/C composite PI/5%3D‐PI‐800 demonstrates a specific capacitance maximum of 322.7 F g−1 at 0.5 A g−1 due to synergistic effects between different types of PIs. The specific capacitance decreases to 214 F g−1 with a retention rate of 66.3% as the current density increases to 10 A g−1. Moreover, the symmetrical supercapacitor (SC) assembled by PI/5%3D‐PI‐800 shows a specific capacitance of 244.4 F g−1 at 0.5 A g−1, with a high energy density of 33.94 Wh kg−1 and a power density of 500 W kg−1. In addition, after 6 months of storage, the button SC is retested and still shows fantastic capacitance retention rate of above 99.5%. Thus, this work proposes a facile method to fabricate the C/C composite electrodes with outstanding electrochemical properties.
Chronic Toxicity of Iron to Aquatic Organisms under Variable pH, Hardness, and Dissolved Organic Carbon Conditions
Authors: Cardwell Allison S. , Rodriguez Patricio H. , Stubblefield William A. , DeForest David K. , Adams William J.
Published: April 2023

A series of chronic toxicity tests was conducted exposing three aquatic species to iron (Fe) in laboratory freshwaters. The test organisms included the green algae Raphidocelis subcapitata, the cladoceran Ceriodaphnia dubia, and the fathead minnow Pimephales promelas. They were exposed to Fe (as Fe (III) sulfate) in waters under varying pH (5.9–8.5), hardness (10.3–255 mg/L CaCO3), and dissolved organic carbon (DOC; 0.3–10.9 mg/L) conditions. Measured total Fe was used for calculations of biological effect concentrations because dissolved Fe was only a fraction of nominal and did not consistently increase as total Fe increased. This was indicative of the high concentrations of Fe required to elicit a biological response and that Fe species that did not pass through a 0.20- or 0.45-µm filter (dissolved fraction) contributed to Fe toxicity. The concentrations frequently exceeded the solubility limits of Fe(III) under circumneutral pH conditions relevant to most natural surface waters. Chronic toxicity endpoints (10% effect concentrations [EC10s]) ranged from 442 to 9607 µg total Fe/L for R. subcapitata growth, from 383 to 15 947 µg total Fe/L for C. dubia reproduction, and from 192 to 58,308 µg total Fe/L for P. promelas growth. Toxicity to R. subcapitata was variably influenced by all three water quality parameters, but especially DOC. Toxicity to C. dubia was influenced by DOC, less so by hardness, but not by pH. Toxicity to P. promelas was variable, but greatest under low hardness, low pH, and low DOC conditions. These data were used to develop an Fe-specific, bioavailability-based multiple linear regression model as part of a companion publication. Environ Toxicol Chem 2023;42:1371–1385. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Sediment depositional pattern in the northern Japan Sea over the last 1200 ka and its linkages to orbital forcing
Authors: Singh Raj K. , Sahu B. , Vats Nishant , Das Manisha , Barik S. Sova , Upadhyay P. , Biswal L. , Roy S.
Published: April 2023

The semi‐enclosed marginal Japan Sea is sensitive to global changes and responds to orbital‐scale variability. Sediment core samples from Integrated Ocean Drilling Program Site U1423 were processed for detrital grain size and semi‐quantitative mineral analysis to assess the sediment characterization and depositional environment in the Japan Sea over the last 1200 ka. The mean grain data suggest the dominance of the silt size fraction over sand and clay in the whole period, while sand content increases dramatically between 600 and 150 ka. The end‐member energy modelling of grain size data suggests that sediment deposition took place under two energy conditions over the last 1200 ka. The low‐energy conditions observed during the middle Pleistocene transition (MPT) is mainly related to the wind deposition with the sediment characteristics being moderately to poorly sorted and coarse to nearly symmetrical skewed during global cooling and enhanced East Asian Winter Monsoon (EAWM) winds in the northern Japan Sea. Post MPT, periodic fluctuations between higher and lower energy conditions are observed, and the depositional environment is controlled by the EAWM wind, and precipitation intensity, glacio‐eustatic sea‐level changes and sea‐ice volumes. During the period, detrital sediments are poorly sorted and nearly symmetrically skewed, marked by the dominance of quartz, plagioclase and k‐feldspar. The spectral analysis grain size‐related data shows the presence of 228, 41 and 23 kyr orbital paced cycles, which are also observed in the Chinese Loess Plateau's normalized quartz mean grain size. This study is the first report of 228 kyr cycles from the Pleistocene Japan Sea sediments indicate that sediment deposition in the Japan Sea is associated with ~200 kyr eccentricity cycle as in the Chinese Loess Plateau.
A call to action in review of the Australian Dietary Guidelines: Impacts of conflicting nutrition information: A mixed methods study
Authors: Ngo Lindsey , Lee Jessica , Rutherford Shannon , Phung Hai
Published: April 2023

Issues Addressed

The overabundance of conflicting nutrition information (CNI) and accompanying confusion and backlash are a public health concern; however, the complexity of responses to CNI has yet to be explored. The following mixed methods study brings depth to the perceptions and behavioural responses to CNI among Australian millennials to better inform successful nutrition guidelines.

Methods

An explanatory sequential mixed methods design explored the cognitive and behavioural responses to CNI in Australian millennials. Cross‐sectional data (n = 204) on CNI exposure, confusion, and backlash was analysed via multivariate ordinal logistic regression. The qualitative phase thematically analysed 18 semi‐structured interviews on experiences with and responses to CNI.

Results

Exposure to CNI via social media was positively associated with confusion. Nutrition confusion was positively associated with backlash. Qualitative analysis confirmed social media as a frequent, yet sometimes trusted, source of CNI. In addition, participants revealed using various methods to alleviate backlash while also relying heavily on traditional nutrition information (TNI) to inform dietary choices.

Conclusions

The methods to alleviate nutrition backlash provide new and innovative ways to tailor nutrition messages for maximum impact. Nutrition promotion initiatives and dietary guidelines should consider the complexity of responses to CNI and modernise interventions across mediums, including social media, with clear and attractive dietary recommendations.

So What?

Results can inform the drafting of the new Australian Dietary Guidelines in 2023 and how they are promoted to the community on an ongoing basis.
Hydrologic and water quality modelling of bioretention columns in cold regions
Authors: Yu Yang , Li Zhuowen , Yu Tong , Guo Shuai , Zhou Yongchao , Li Xiaochen , Zhang Wenming
Published: April 2023

Bioretention is widely used in urban sustainable stormwater management; however, limited numerical research has been conducted on its performance in cold regions, particularly for winter snowmelt, spring runoff and summer large storms (>50 mm) for urban flood mitigation. In this study, HYDRUS 1D was used to explore these knowledge gaps. The model was comprehensively calibrated and validated against 2‐year hydrologic and water quality data of four bioretention columns with different designs under lab‐simulated cold region conditions. The Morris method was used to measure the sensitivity and interaction of the calibrated hydraulic parameters. The model revealed that the effective hydraulic conductivity (KS) values of the soil media were similar for winter snowmelt and spring runoff when the soil temperature was around −0.5°C. Preferential flow is likely to occur in soil media during winter or spring in cold regions. The summer modelling showed that bioretention could substantially reduce peak flow, ponding depth and duration for large storm events (even for a 1:100 local storm with 83.4 mm in 4 h). The water quality modelling confirmed experimental results that the bioretention effectively removed phosphate and ammonium but had leaching issues for chloride and nitrate. Finally, optimization and recommendations for bioretention columns were provided.
A case of urinary calculus in a patient with Ehlers‐Danlos syndrome
Authors: Owa Shunsuke , Hattori Yuna , Yonemura Shigenori , Sakurai Masaki
Published: April 2023

Introduction

Treatment of urinary tract calculi in patients with Ehlers‐Danlos syndrome, a connective tissue disorder, has rarely been reported.

Case presentation

A 33‐year‐old woman with Ehlers‐Danlos syndrome sought evaluation of right‐sided abdominal pain from her family physician. Right‐sided hydronephrosis was noted and she was referred to our hospital for further evaluation and treatment. A ureteral calculus with a maximum diameter of 8 mm was demonstrated at the right ureterovesical junction. Transurethral lithotripsy was performed under general anesthesia without complications.

Conclusion

Lithotripsy may be safely performed in patients with Ehlers‐Danlos syndrome.
Storage allocation rules to meet shared water demands for optimal operation of reservoir water supply
Authors: Wan Fang , Wang Yu , Xiao Lingfeng , Chai Qihui
Published: April 2023

The priority principle of storage allocation rules of serial cascade reservoirs within an interbasin water supply can reduce water loss and reduce water supply times. Reasonable balancing curves for reservoirs in parallel are proposed, and the proportional distribution of water is determined to illustrate the optimal allocation rule for different reservoir scheduling periods. The mutation point and slope are used to describe the segmentation of reservoirs in parallel. Finally, the relative optimal water supply rule is obtained. Taking the reservoir groups in the lower reaches of the Luanhe River basin as the research object, the results show that the water supply obtained by the balancing curve is increased by approximately 4% compared with the compensation regulation, and wasted water is reduced by 10%. The results are close to the largest water supply, the annual average wasted water and the guarantee rate obtained by dynamic programming. The suggested method can achieve the operation goal effectively and improve the operation performance of the shared water demands for the reservoir water supply. This article highlights the superior results obtained compared with the current storage allocation rules to meet shared water demands.
The effect of a social cognitive theory‐based educational intervention on nonsuicidal self‐injury prevention in high school students: A randomized educational intervention trial
Authors: Zare Elahe , Kaveh Mohammad H. , Karimi Masoud , Nazari Mahin , Seif Mozhgan
Published: April 2023

Introduction

Nonsuicidal self‐injury (NSSI) in adolescents is a growing public health concern, demanding preventive measures, particularly among high school students. Based on social cognitive theory (SCT), self‐efficacy coupled with outcome expectations, social support, self‐regulation, and behavioral intention, determine the likelihood of engaging in such a behavior. Thus, the present study was to investigate the effect of a SCT‐based educational intervention on NSSI prevention in female high school students.

Methods

This randomized educational intervention trial was conducted on 191 female high school students, aged 15–17 years (15.95 ± 0.59) (viz. 99 individuals in intervention group and 92 controls). Intervention group attended five SCT‐based educational intervention sessions concerning NSSI prevention. Data were then collected by three self‐administered questionnaires. The first questionnaire was to measure demographic variables and the second one, intermediate outcome measure, was implemented to evaluate SCT constructs. The third questionnaire also measured NSSI (final outcome measure). Data were analyzed using SPSS software v.24.

Results

After controlling the pretest scores, the repeated‐measure multivariate analysis of covariance revealed a significant time and group interaction in multivariate (F = 154.8, p < .001) and univariate analysis, which is in favor of the effectiveness of educational intervention on changing the mean scores of NSSI and all SCT constructs. SCT constructs explained 41% of the variance in conforming intention for NSSI prevention (p < .001).

Conclusion

The study findings were in favor of effectiveness of an SCT‐based educational intervention in intention of preventing NSSI.
Fight back against the stress: The effects of parental job insecurity on career networking behaviors of emerging adults
Authors: Wang Ruimeng , Lin Xinqi
Published: April 2023

Introduction

This study investigates whether and how parental job insecurity motivates emerging adults' career networking behaviors. Using the framework of ecological system theory, we particularly focus on the sequential mediating role that overparenting behavior and emerging adults' intolerance of uncertainty could play.

Methods

We recruit 741 fresh undergraduates (63.2% females) and their parents from the city of Jinan, Province Shandong in China. All of the participants are between the ages of 17 and 20 years. We apply a structural equation model using data obtained from multiple sources (i.e., fathers, mothers, and their children) at two time points to test our research model.

Results and Conclusions

The results from the structural equation model support the spillover effect of paternal and maternal job insecurity on overparenting behavior. Overparenting is significantly related to emerging adults' intolerance of uncertainty. In turn, emerging adults' intolerance of uncertainty is positively associated with their career networking behavior. The results also support the indirect effect, which demonstrates that parental job insecurity indirectly leads to emerging adults' career networking behavior via overparenting behavior and emerging adults' intolerance of uncertainty. This study builds on and extends existing research on parental job insecurity and career networking behavior by systematically bringing together the streams of research on youth development and organizational behavior. Specific theoretical implications and limitations are discussed as well.
Confining CO2 inside sI clathrate‐hydrates: The impact of the CO2–water interaction on quantized dynamics
Authors: Valdés Álvaro , Cabrera‐Ramírez Adriana , Prosmiti Rita
Published: April 2023

We report new results on the translational‐rotational (T‐R) states of the CO2 molecule inside the sI clathrate‐hydrate cages. We adopted the multiconfiguration time‐dependent Hartree methodology to solve the nuclear molecular Hamiltonian, and to address issues on the T‐R couplings. Motivated by experimental X‐ray observations on the CO2 orientation in the D and T sI cages, we aim to evaluate the effect of the CO2–water interaction on quantum dynamics. Thus, we first compared semiempirical and ab initio‐based pair interaction model potentials against first‐principles DFT‐D calculations for ascertaining the importance of nonadditive many‐body effects on such guest–host interactions. Our results reveal that the rotational and translational excited states quantum dynamics is remarkably different, with the pattern and density of states clearly affected by the underlying potential model. By analyzing the corresponding the probability density distributions of the calculated T‐R eigenstates on both semiempirical and ab initio pair CO2–water nanocage potentials, we have extracted information on the altered CO2 guest local structure, and we discussed it in connection with experimental data on the orientation of the CO2 molecule in the D and T sI clathrate cages available from neutron diffraction and solid‐state NMR studies, as well as in comparison with previous molecular dynamics simulations. Our calculations provide a very sensitive test of the potential quality by predicting the low‐lying T‐R states and corresponding transitions for the encapsulated CO2 molecule. As such spectroscopic observables have not been measured so far, our results could trigger further detailed experimental and theoretical investigations leading to a quantitative description of the present guest–host interactions.
Gender differences in perceived racism threat and activism during the Black Lives Matter social justice movement for Black young adults
Authors: Lafreniere Bianca , Audet Élodie C. , Kachanoff Frank , Christophe N. Keita , Holding Anne C. , Janusauskas Lauren , Koestner Richard
Published: April 2023

A longitudinal study involving 455 Black young adults living in Canada investigated whether gender and autonomous motivation influenced the relationship between perceived racism threat and Black Lives Matter (BLM) activism, and whether BLM activism influenced life satisfaction over time. A moderated mediation analysis using PROCESS Macro Model 58 tested the indirect effect of autonomous motivation on the relationship between perceived racism threat and BLM activism varying by gender. Multiple linear regression assessed how well BLM activism predicted life satisfaction. Black women perceived greater racism threat than Black men related to increases in BLM activism via the influence of autonomous motivation. BLM activism had a positive influence on life satisfaction over time, regardless of gender. This research suggests Black young women are playing pivotal roles in the BLM movement and helps us understand how motivation may be influencing involvement and well‐being in social justice issues.
Follicular fluid exosomes regulate OVGP1 secretion in yak oviduct epithelial cells via autophagy in vitro
Authors: Wang Jinglei , Pan Yangyang , Wang Meng , Xu Ruihua , Han Xiaohong , Ma Rui , Zhao Ling , Zhang Tongxiang , Wang Yaying , Zhao Tian , Ding Tianyi , Baloch Abdul Rasheed , Wang Libin , Cui Yan , Yu Sijiu
Published: April 2023

After mammalian ovulation, oocytes enter the oviduct, causing oocyte and oviduct changes. Some studies have shown that follicular fluid exosomes (FEVs) play an important role in this regulatory process, but the specific mechanism is remains unclear. Here, we investigate the effect of FEVs on autophagy and on the synthesis and secretion of oviductal glycoprotein 1 (OVGP1) in yak oviduct epithelial cells (OECs). We added FEVs to yak OECs and collected samples at intervals. The effect of autophagy on OVGP1 synthesis and secretion was detected by manipulating the level of autophagy in OECs. The results showed that autophagy gradually increased as early as 6 h after exosome intake level increased, and the increase was most obvious 24 h after. At that time, the synthesis and secretion of OVGP1 also reached its highest levels. When the autophagy level of OECs is changed through the PI3K/AKT/mTOR pathway, OVGP1 synthesis and secretion levels also change, along with the OVGP1 levels in oviduct exosomes also change. More importantly, the addition of FEVs treatment while using 3‐MA to inhibit the autophagy level in yak OECs did not change the synthesis and secretion level of OVGP1. Our results indicate that FEVs can affect the synthesis and secretion of OVGP1 by regulating the level of autophagy in OECs, and that the completion of this process may depend on the PI3K/AKT/mTOR pathway, indicating that exosomes and autophagy play important roles in the reproductive physiology of yak OECs. Our results provide new ideas in to characterizing the role of exosomes in yak reproduction.
Tilorone increases glucose uptake in vivo and in skeletal muscle cells by enhancing Akt2/AS160 signaling and glucose transporter levels
Authors: Kohler Zoltan M. , Trencsenyi Gyorgy , Juhasz Laszlo , Zvara Agnes , Szabo Judit P. , Dux Laszlo , Puskas Laszlo G. , Rovo Laszlo , Keller‐Pinter Aniko
Published: April 2023

Skeletal muscle plays a major role in whole‐body glucose metabolism. Insulin resistance in skeletal muscle is characterized by decreased insulin‐stimulated glucose uptake resulting from impaired intracellular trafficking and decreased glucose transporter 4 (GLUT4) expression. In this study, we illustrated that tilorone, a low‐molecular‐weight antiviral agent, improves glucose uptake in vitro and in vivo. Tilorone increased bone morphogenetic protein (BMP) signaling in C2C12 myoblasts, the transcription of multiple BMPs (BMP2, BMP4, BMP7, and BMP14), Smad4 expression, and the phosphorylation of BMP‐mediated Smad1/5/8. The activation of Akt2/AS160 (TBC1D4) signaling, the critical regulator of GLUT4 translocation, was also increased, as well as the levels of GLUT4 and GLUT1, leading to enhanced uptake of the radioactively labeled glucose analog 18F‐fluoro‐2‐deoxyglucose (18FDG). However, this excess glucose content did not result in increased ATP formation by mitochondrial respiration; both basal and ATP‐linked respiration were diminished, thereby contributing to the induction of AMPK. In differentiated myotubes, AS160 phosphorylation and 18FDG uptake also increased. Moreover, tilorone administration further increased insulin‐stimulated phosphorylation of Akt2 and glucose uptake of myotubes indicating an insulin‐sensitizing effect. Importantly, during in vivo experiments, the systemic administration of tilorone resulted in increased 18FDG uptake of skeletal muscle, liver, and adipose tissue in C57BL/6 mice. Our results provide new perspectives for the treatment of type 2 diabetes, which has a limited number of treatments that regulate protein expression or translocation.
Part, III: Increasing odor detection performance after training with progressively leaner schedules of odor prevalence
Authors: DeChant Mallory T. , Aviles‐Rosa Edgar , Prada‐Tiedemann Paola , Hall Nathaniel J.
Published: April 2023

Prior work has demonstrated canine search behavior and performance declines when challenged with infrequent target odors. The purpose of this study was to evaluate whether performance could be maintained in a low target odor prevalence context by explicitly training dogs through progressively leaner target odor schedules. In Experiment 1, nine control dogs were trained at 90% target prevalence rate. Nine experimental dogs were trained with progressively lower prevalence rates in 10% increments until reaching 20% prevalence with > 85% detection accuracy in the training context. Both groups were tested in the operational context at a 10% target odor prevalence. Experimental dogs had higher accuracy, hit percentage, and shorter search latency in the operational context compared with control dogs. In Experiment 2, twenty‐three operational dogs were challenged with a target frequency of 10%, which resulted in 67% accuracy. Control dogs were then trained with 90% target frequency, whereas experimental dogs received a progressively decreasing target rate from 90% to 20%. The dogs were rechallenged with target frequencies of 10, 5, and 0%. Experimental dogs outperformed control dogs (93% vs. 82% accuracy) highlighting the effect of explicit training for infrequent targets.