bluuebunny/crossref_metadata_2025 huggingface dataset:
Suppressing Local Dendrite Hotspots via Current Density Redistribution Using a Superlithiophilic Membrane for Stable Lithium Metal Anode
Authors: Hu Yifan , Li Zichuang , Wang Zongpeng , Wang Xunlu , Chen Wei , Wang Jiacheng , Zhong Wenwu , Ma Ruguang
Published: February 2023

Li metal anode is considered as one of the most desirable candidates for next‐generation battery due to its lowest electrochemical potential and high theoretical capacity. However, undesirable dendrite growth severely exacerbates the interfacial stability, thus damaging battery performance and bringing safety concerns. Here, an efficient strategy is proposed to stabilize Li metal anode by digesting dendrites sprout using a 3D flexible superlithiophilic membrane consisting of poly(vinylidene fluoride) (PVDF) and ZnCl2 composite nanofibers (PZEM) as a protective layer. Both the experimental studies and theoretical calculations show the origin of superlithiophilicity ascribed to a strong interaction between ZnCl2 and PVDF to form the ZnF bonds. The multifield physics calculation implies effective removal of local dendrite hotspots by PZEM via a more homogeneous Li+ flux. The PZEM‐covered Li anode (PZEM@Li) exhibits superior Li deposition/stripping performance in a symmetric cell over 1100 cycles at a high current density of 5 mA cm−2. When paired with LiFePO4 (LFP), PZEM@Li|LFP full cell remains stable over 1000 cycles at 2 C with a degradation rate of 0.0083% per cycle. This work offers a new route for efficient protection of Li metal anode for practical applications.
Conjugated Imine Polymer Synthesized via Step‐Growth Metathesis for Highly Stable Silicon Nanoparticle Anodes in Lithium‐Ion Batteries
Authors: Martin Trevor R. , Rynearson Leah , Kuller Mackenzie , Quinn Joseph , Wang Chongmin , Lucht Brett , Neale Nathan R.
Published: February 2023

This work reports a new method to synthesize polyphenylmethanimine (polyPMI) as a linear or a hyperbranched, conjugated polymer using an aldehyde‐imine metathesis reaction. This work details the reaction mechanisms of this polymerization by characterizing a red‐shift in its absorption spectrum as polymer conjugation length increases and verifies that this optical shift results from extended π‐condensation using density functional theory. This new synthetic approach provides a polymer that can potentially be depolymerized for facile recyclability and is compatible with air‐ and water‐sensitive chemistries. As an example of the utility of this new approach, this work demonstrates that this polymer can be directly grown on silicon nanoparticles to create silicon anodes for lithium‐ion batteries with a high degree of electrochemical interfacial passivation. These silicon anodes exhibit Coulombic efficiencies above 99.9% and can accommodate silicon nanoparticle expansion and contraction during lithiation and delithiation as demonstrated by stable reversible capacities for 500 cycles. Finally, this work demonstrates that polyPMI facilitates the formation of a lithium fluoride rich solid electrolyte interphase that remains chemically and mechanically stable after long term cycling.
Biodegradable and Flexible Polymer‐Based Memristor Possessing Optimized Synaptic Plasticity for Eco‐Friendly Wearable Neural Networks with High Energy Efficiency
Authors: Oh Sungjun , Kim Hyungjin , Kim Seong Eun , Kim Min-Hwi , Park Hea-Lim , Lee Sin-Hyung
Published: February 2023

Organic memristors are promising candidates for the flexible synaptic components of wearable intelligent systems. With heightened concerns for the environment, considerable effort has been made to develop organic transient memristors to realize eco‐friendly flexible neural networks. However, in the transient neural networks, achieving flexible memristors with biorealistic synaptic plasticity for energy efficient learning processes is still challenging. Herein, a biodegradable and flexible polymer‐based memristor, suitable for the spike‐dependent learning process, is demonstrated. An electrochemical metallization phenomenon for the conductive nanofilament growth in a polymer medium of poly (vinyl alcohol) (PVA) is analyzed and a PVA‐based transient and flexible artificial synapse is developed. The developed device exhibits superior biodegradability and stable mechanical flexibility due to the high water solubility and excellent tensile strength of the PVA film, respectively. In addition, the developed flexible memristor is operated as a reliable synaptic device with optimized synaptic plasticity, which is ideal for artificial neural networks with the spike‐dependent operations. The developed device is found to be effectively served as a reliable synaptic component with high energy efficiency in practical neural networks. This novel strategy for developing transient and flexible artificial synapses can be a fundamental platform for realizing eco‐friendly wearable intelligent systems. An interactive preprint version of the article can be found here:https://doi.org/10.22541/au.166603245.58711630/v1.
Engineering Strategies for Advancing Optical Signal Outputs in Smartphone‐Enabled Point‐of‐Care Diagnostics
Authors: Fan Kexin , Liu Weiran , Miao Yuchen , Li Zhen , Liu Guozhen
Published: February 2023

The use of smartphone‐based analysis systems has been increasing over the past few decades. Among the important reasons for its popularity are its ubiquity, increasing computing power, relatively low cost, and capability to acquire and process data simultaneously in a point‐of‐need fashion. Furthermore, smartphones are equipped with various sensors, especially a complementary metal–oxide–semiconductor (CMOS) sensor. The high sensitivity of the CMOS sensor allows smartphones to be used as a colorimeter, fluorimeter, and spectrometer, constituting the essential part of point‐of‐care testing contributing to E‐health and beyond. However, despite its myriads of merits, smartphone‐based diagnostic devices still face many challenges, including high susceptibility to illumination conditions, difficulty in adapter uniformization, low interphone repeatability, and et al. These problems may hinder smartphone‐enabled diagnosis from passing the FDA regulations of medical devices. This review discusses the design and application of current smartphone‐based diagnostic devices and highlights challenges associated with existent methods and perspectives on how to deal with those challenges from engineering aspects on constant color signal acquisition, including smartphone adapter design, color space transformation, machine learning classification, and color correction.
Physics‐Based Human‐in‐the‐Loop Machine Learning Combined with Genetic Algorithm Search for Multicriteria Optimization: Electrochemical CO2 Reduction Reaction
Authors: Fujinuma Naohiro , Lofland Samuel E.
Published: February 2023

Machine learning (ML) can be a powerful tool to expedite materials research, but the deployment for experimental research is often hindered by data scarcity and model uncertainty. An human‐in‐the‐loop procedure to tailor the implementation of ML for multicriteria optimization is described. The effectiveness of this procedure in the development of a nafion‐based membrane electrode assembly for electrochemical CO2 reduction reaction (CO2RR) into CO for two targets is demonstrated: energy efficiency (EE) and partial current density for CO2RR (). Model‐agnostic nonlinear correlation analyses identify the 11 features relevant to those targets. The three studied decision tree‐based ML models yield similar cross‐validation errors so an ad hoc feature analysis of the models is done with SHapley Additive exPlanations and nonlinear correlation techniques. The predicted EE‐ space and the functional dependency of the predictions are investigated to assess model plausibility. A genetic algorithm with CO production cost as the final target with subsequent validation experiments of candidate conditions is devised. The model chosen through ad hoc analysis yields the highest accuracy and the only one that can locate the Pareto front with a single round of experiments, demonstrating how appropriate model selection through careful inspection can greatly accelerate the research cycle.
Time‐Lapse Image Classification Using a Diffractive Neural Network
Authors: Rahman Md Sadman Sakib , Ozcan Aydogan
Published: February 2023

Diffractive deep neural networks (D2NNs), comprised of spatially engineered passive surfaces, collectively process optical input information at the speed of light propagation through a thin diffractive volume, without any external computing power. Diffractive networks were demonstrated to achieve all‐optical object classification and perform universal linear transformations. Herein, a “time‐lapse” image classification scheme using a diffractive network is demonstrated for the first time, significantly advancing its classification accuracy and generalization performance on complex input objects by using the lateral movements of the input objects and/or the diffractive network, relative to each other. In a different context, such relative movements of the objects and/or the camera are routinely being used for image super‐resolution applications; inspired by their success, a time‐lapse diffractive network is designed to benefit from the complementary information content created by controlled or random lateral shifts. The design space and performance limits of time‐lapse diffractive networks are numerically explored, revealing a blind testing accuracy of 62.03% on the optical classification of objects from the CIFAR‐10 dataset. This constitutes the highest inference accuracy achieved so far using a single diffractive network on the CIFAR‐10 dataset. Time‐lapse diffractive networks will be broadly useful for the spatiotemporal analysis of input signals using all‐optical processors.
Dual‐Function Tactile Sensor with Linear Pressure and Temperature Perception at Low Degree of Coupling
Authors: Ge Chuanyang , Li Renzheng , Zhou Lijie , An Xuyang , Duan Zhan , Chen Jiatai , Li Yang , Zhang Shuye , Hu PingAn , Wang Zhenlong , Zhang Jia
Published: February 2023

Multiinformation tactile perception is highly important for detecting the change of external environment and realizing the compliant control of the robot. However, the integration of dual‐mode or multimode sensors with low coupling remains a challenge. Herein, a dual‐function tactile sensor with linear pressure and temperature perception is reported. The pressure detection part contains the pyramid conductive film and flexible hemispherical electrode, which works as the piezoresistive material. A spiral nickel film works as a temperature‐sensitive material for sensing the temperature of objects during approaching and while contacting. As a result, the dual‐function sensor can detect the pressure in 0–100 kPa with a sensitivity of 11.5 kPa−1, while the temperature is in 25–65 °C with a sensitivity of 0.0032 °C −1. To be state of the art, the tactile sensor array is used for an active safety control of robotic arms, which can realize the perception and timely avoidance of sudden changes in external temperature and object collisions.
A Monolithic Electrostatic–Hydraulic Coupled Suction Pad
Authors: Cao Chongjing , Wang Lei , Gao Xing
Published: February 2023

Suction cups are one of the most widely adopted switchable adhesive techniques and play a crucial role in manufacturing and robotics. However, conventional negative pressure sources (e.g., diaphragm vacuum pumps) suffer from poor scalability from meso‐ to microscale, unavoidable vibration and noise, while the performances of existing smart material‐driven suction cups are often restricted by their bulky structures, poor active adhesive stresses, or high power consumptions. To address these limitations, a monolithic suction pad is proposed where its active adhesion is realized by the electrostatic–hydraulic coupling generated negative pressure cavity and the sealing is achieved by the elastomeric–hydraulic coupled outer rim. This suction pad features a peak pull‐off stress of 7.4 kPa and good switch ability in its adhesive stress of over 12 times. Compared with the existing smart material‐driven suction cups, the proposed suction pad demonstrates clear advantages in its significantly lower profile structure, lower preload stress requirement, and a higher adhesive force to power consumption ratio. This suction pad is envisioned to have promises in broad applications such as digital manufacturing, transfer printing, medical robotics, and robotic locomotion.
Sex‐specific effects of SNAP‐25 genotype on verbal memory and Alzheimer's disease biomarkers in clinically normal older adults
Authors: Saloner Rowan , Paolillo Emily W. , Wojta Kevin J. , Fonseca Corrina , Gontrum Eva Q. , Lario‐Lago Argentina , Rabinovici Gil D. , Yokoyama Jennifer S. , Rexach Jessica E. , Kramer Joel H. , Casaletto Kaitlin B.
Published: February 2023

Introduction

We tested sex‐dependent associations of variation in the SNAP‐25 gene, which encodes a presynaptic protein involved in hippocampal plasticity and memory, on cognitive and Alzheimer's disease (AD) neuroimaging outcomes in clinically normal adults.

Methods

Participants were genotyped for SNAP‐25 rs1051312 (T > C; SNAP‐25 expression: C‐allele > T/T). In a discovery cohort (N = 311), we tested the sex by SNAP‐25 variant interaction on cognition, Aβ‐PET positivity, and temporal lobe volumes. Cognitive models were replicated in an independent cohort (N = 82).

Results

In the discovery cohort, C‐allele carriers exhibited better verbal memory and language, lower Aβ‐PET positivity rates, and larger temporal volumes than T/T homozygotes among females, but not males. Larger temporal volumes related to better verbal memory only in C‐carrier females. The female‐specific C‐allele verbal memory advantage was evidenced in the replication cohort.

Conclusions

In females, genetic variation in SNAP‐25 is associated with resistance to amyloid plaque formation and may support verbal memory through fortification of temporal lobe architecture.

Highlights

The SNAP‐25 rs1051312 (T > C) C‐allele results in higher basal SNAP‐25 expression.

C‐allele carriers had better verbal memory in clinically normal women, but not men.

Female C‐carriers had higher temporal lobe volumes, which predicted verbal memory.

Female C‐carriers also exhibited the lowest rates of amyloid‐beta PET positivity.

The SNAP‐25 gene may influence female‐specific resistance to Alzheimer's disease (AD).
Effects of risk factors on longitudinal changes in brain structure and function in the progression of AD
Authors: Verovnik Barbara , Khachatryan Elvira , Šuput Dušan , Van Hulle Marc M.
Published: February 2023

Introduction

Past research on Alzheimer's disease (AD) has focused on biomarkers, cognition, and neuroimaging as primary predictors of its progression, albeit additional ones have recently gained attention. When turning to the prediction of the progression from one stage to another, one could benefit from the joint assessment of imaging‐based biomarkers and risk/protective factors.

Methods

We included 86 studies that fulfilled our inclusion criteria.

Results

Our review summarizes and discusses the results of 30 years of longitudinal research on brain changes assessed with neuroimaging and the risk/protective factors and their effect on AD progression. We group results into four sections: genetic, demographic, cognitive and cardiovascular, and lifestyle factors.

Discussion

Given the complex nature of AD, including risk factors could prove invaluable for a better understanding of AD progression. Some of these risk factors are modifiable and could be targeted by potential future treatments.
The value of maintaining cognition in patients with mild cognitive impairment: The innovation headroom and potential cost‐effectiveness of roflumilast
Authors: Handels Ron , Grimm Sabine , Blokland Arjan , Possemis Nina , Ramakers Inez , Sambeth Anke , Verhey Frans , Vos Stephanie , Joore Manuela , Prickaerts Jos , Jönsson Linus
Published: February 2023

INTRODUCTION

Early health‐technology assessment can support discussing scarce resource allocation among stakeholders. We explored the value of maintaining cognition in patients with mild cognitive impairment (MCI) by estimating: (1) the innovation headroom and (2) the potential cost effectiveness of roflumilast treatment in this population.

METHODS

The innovation headroom was operationalized by a fictive 100% efficacious treatment effect, and the roflumilast effect on memory word learning test was assumed to be associated with 7% relative risk reduction of dementia onset. Both were compared to Dutch setting usual care using the adapted International Pharmaco‐Economic Collaboration on Alzheimer's Disease (IPECAD) open‐source model.

RESULTS

The total innovation headroom expressed as net health benefit was 4.2 (95% bootstrap interval: 2.9–5.7) quality‐adjusted life years (QALYs). The potential cost effectiveness of roflumilast was k€34 per QALY.

DISCUSSION

The innovation headroom in MCI is substantial. Although the potential cost effectiveness of roflumilast treatment is uncertain, further research on its effect on dementia onset is likely valuable.
Palladium‐Catalyzed Asymmetric Hydrogenolysis of Aryl Triflates for Construction of Axially Chiral Biaryls
Authors: Li Xiang , Wang Gao‐Wei , Liu Li‐Xia , Yu Chang‐Bin , Zhou Yong‐Gui
Published: February 2023

Here we report the first palladium‐catalyzed asymmetric hydrogenolysis of readily available aryl triflates via desymmetrization and kinetic resolution for facile construction of axially chiral biaryl scaffolds with excellent enantioselectivities and s selectivity factors. The axially chiral monophosphine ligands could be prepared from these chiral biaryl compounds and were further applied to palladium‐catalyzed asymmetric allylic alkylation with excellent ee values and high branched and linear ratio, which demonstrated the potential utility of this methodology.
Effect of organically modified titania and zirconia nanoparticles on characteristics, properties of coating based on acrylic emulsion polymer for outdoor applications
Authors: Dao Phi Hung , Phung Lan Thi , Nguyen Anh Hiep , Mac Van Phuc , Nguyen Xuan Thai , Nguyen Thuy Chinh , Dinh Thi My Binh , Vu Quoc Trung , Thai Hoang
Published: February 2023

Effect of titania nanoparticles modified with 3 wt% [3‐(methacrylloxy)propyl]trimethoxysilane (m‐TiO2 NPs) and zirconia nanoparticles modified with 3 wt% (3‐glycidyloxypropyl)triethoxysilane (m‐ZrO2 NPs) on properties and morphology of acrylic emulsion polymer coating was investigated. With suitable weight ratio of m‐TiO2/m‐ZrO2 NPs, the acrylic coating could be improved abrasion resistance, weather durability, reflectance index (400–1400 nm) as well as thermal‐oxidation stability in comparison with the coatings having the same content of single modified nanoparticles. The starting thermal degradation temperature of acrylic coating filled by mixture of m‐TiO2 NPs and m‐ZrO2 NPs was approximately 10°C higher than that of the acrylic coating contained separately modified nanoparticles. The mixture of m‐TiO2 NPs and m‐ZrO2 NPs were used in solar reflective paint. Replacement of rutile TiO2 microparticles by 1 wt% mixture of modified nanoparticles, the solar reflective paint (SRP) could be improved water resistance and cooling performance. The water permeability of the SRP coating with mixture of modified nanoparticles was reduced by nearly 50%. The results of cooling performance test indicated that SRP loaded 1 wt% (m‐TiO2 NPs and m‐ZrO2 NPs) (weight ratio of 1/1) replaced 1 wt% TiO2 microparticles could reduce outside temperature of chamber test by nearly 11°C and ambient inside temperature of chamber test by 7.5°C. This novel solar reflective paint is considered as promising material for outdoor applications.
Surface modification of the Nylon 6,6 and wasted glass fiber‐Nylon 6.6 coatings using atmospheric plasma treatment
Authors: Rodríguez María del Pilar , Vázquez‐Vélez Edna , Galván‐Hernández Arturo , Martinez Horacio , Torres Alvaro
Published: February 2023

Polymers tend to have low surface free energy, a significant cause of adhesion properties with other substances. Plasma treatment is an optimal method to improve surface properties. This work used a recycled glass fiber‐polymer coating, and another based on Nylon 6,6. The surface modification of both layers was carried out with an atmospheric plasma treatment at different times. Chemical analysis of the plasma treated and the untreated surface were analyzed by infrared spectroscopy and X‐ray diffraction. Atomic force microscopy (AFM) investigated the morphology and topography surface. The plasma treatment results improve wettability and surface free energy. The contact angle decreases for Nylon 6,6 from 68° to 0° and for glass fiber‐polymer from 56° to 18°. However, the wettability remains over time in Nylon 6,6 layer, and the composite material reverts in 15 days. The high surface free energy after plasma treatment was mainly due to an increase in the polar component by inserting polar groups. The % crystallinity increases with plasma treatment due to the loss of the amorphous part of the polymer by plasma etching. AFM analysis shows an improvement in the roughness surface after treatment. These results greatly interest in enhancing adhesion with other substrates.
The effect of nozzle spacing on the electric field and fiber size distribution in a multi‐nozzle electrospinning system
Authors: Jin Jinghao , Yeom Seung Ho , Lee Hyung Ju , Choi Chang Kyoung , Lee Seong Hyuk
Published: February 2023

The present study investigates the characteristics of nanofiber uniformity in a multi‐nozzle electrospinning system widely used to prepare nanofiber matrix. The effect of nozzle spacing on the electric field and nanofiber diameter uniformity is analyzed using a four‐nozzle electrospinning system. The electric field distribution at the nozzle tip at different nozzle spacings is simulated numerically using COMSOL Multiphysics 5.6. Simulation results find that as nozzle spacings increase from 1 to 5 cm, the average electric field intensity at 1 mm from the tip of four nozzles increases from 32.46 to 40.08 kV/cm. Variations of electric field intensity at a given spacing decrease from 11% to 3.2% for spacings of 1 to 5 cm. Corresponding experiments are conducted with a gelatin solution. As the nozzle spacing increases, the four nozzles produce nanofibers with diameters of 88–508 nm, 112–498 nm, and 90–418 nm. Nanofiber diameter uniformity increases, and the average diameter decreases from 268 to 222 nm. In addition, the effect that changes in voltages and nozzle‐to‐collector distances have on fiber diameter is also studied. The experiments show that nanofiber diameter decreased as voltage increased and increased as nozzle‐to‐collector distance increased.
Triazolo‐linked benzimidazoles as tubulin polymerization inhibitors and DNA intercalators: Design, synthesis, cytotoxicity, and docking studies
Authors: Laxmikeshav Kritika , Sayali Mone , Devabattula Geetanjali , Valapil Durgesh G. , Mahale Ashutosh , Sharma Pravesh , George Joel , Phanindranath Regur , Godugu Chandraiah , Kulkarni Onkar P. , Nagesh Narayana , Shankaraiah Nagula
Published: February 2023

A simple “click” protocol was employed in the quest of synthesizing 1,2,3‐triazole‐linked benzimidazoles as promising anticancer agents on various human cancer cell lines such as A549, HCT116, SK‐Mel‐28, HT‐29, and MCF‐7. Compound 12j demonstrated significant cytotoxic potential towards SK‐Mel‐28 cancer cells (IC50: 4.17 ± 0.09 µM) and displayed no cytotoxicity (IC50: > 100 µM) against normal human BEAS‐2B cells inferring its safety towards normal healthy cells. Further to comprehend the underlying apoptosis mechanisms, AO/EB, dichlorodihydrofluorescein diacetate (DCFDA), and 4',6‐diamidino‐2‐phenylindole (DAPI) staining were performed, which revealed the nuclear and morphological alterations. Compound 12j displayed impairment in cellular migration and inhibited colony formation. The annexin V binding assay and JC‐1 were implemented to evaluate the scope of apoptosis and the loss of the mitochondrial transmembrane potential in SK‐Mel‐28 cells. Cell‐cycle analysis revealed that compound 12j arrested the cells at the G2/M phase in a dose‐dependent manner. Target‐based assays established the inhibition of tubulin polymerization by 12j at an IC50 value of 5.65  ± 0.05 μM and its effective binding with circulating tumor DNA as a DNA intercalator. The detailed binding interactions of 12j with tubulin and DNA were examined by docking studies on PDB ID: 3E22 and DNA hexamer (PDB ID: 1NAB), respectively.
Quantitative Detection of 15 Serum Bile Acid Metabolic Products by LC/MS/MS in the Diagnosis of Primary Biliary Cholangitis
Authors: Liu Dan , Li Guo , Liu Dongdong , Shi Wen , Wang Huimin , Zhang Qiaoxuan , Shen Min , Huang Xianzhang , Lin Haibiao
Published: February 2023

To determine 15 bile acid metabolic products in human serum by liquid chromatography‐tandem mass spectrometry (LC/MS/MS) and value their diagnostic outcome in primary biliary cholangitis (PBC). Serum from 20 healthy controls and 26 patients with PBC were collected and went LC/MS/MS analysis of 15 bile acid metabolic products. The test results were analyzed by bile acid metabolomics, and the potential biomarkers were screened and their diagnostic performance was judged by statistical methods such as principal component and partial least squares discriminant analysis and area under curve (AUC). 8 differential metabolites can be screened out: Deoxycholic acid (DCA), Glycine deoxycholic acid (GDCA), Lithocholic acid (LCA), Glycine ursodeoxycholic acid (GUDCA), Taurolithocholic acid (TLCA), Tauroursodeoxycholic acid (TUDCA), Taurodeoxycholic acid (TDCA), Glycine chenodeoxycholic acid (GCDCA). The performance of the biomarkers was evaluated by the AUC, specificity and sensitivity. In conclusion, DCA, GDCA, LCA, GUDCA, TLCA, TUDCA, TDCA and GCDCA were identified as eight potential biomarkers to distinguish between healthy people and PBC patients by multivariate statistical analysis, which provided reliable experimental basis for clinical practice.
Scouting Different Phosphodiesterase 4 Inhibitor Chemotypes in Silico To Guide the Design of Anti‐inflammatory/Antioxidant Agents
Authors: Cichero Elena , Rapetti Federica , Lusardi Matteo , Scarano Naomi , Alfei Silvana , Altieri Paola , Garibaldi Silvano , Ameri Pietro , Grazia Signorello Maria , Brullo Chiara
Published: February 2023

During the last years, we developed a large library of new selective phosphodiesterase 4D inhibitors, maintaining the catechol portion of the well‐known PDE4 inhibitor Rolipram, featuring different substitutions in place of the lactam group of this reference compound. Based on the X‐ray analysis of PDE4 inhibitors (PDE4Is) previously synthesized by us and of naphthyridine‐ and naphthyridinone‐containing derivatives exhibiting PDE4 inhibitory ability described in the literature, we designed and synthesized new compounds 1–3. All of them were screened in silico as putative PDE4Is, via molecular docking studies to exploit structural variation at the catechol group to gain further contacts especially with the flat aromatic residues (Phe506 and Phe538) of enzyme. Subsequent in silico prediction of ADMET properties and in vitro biological assays on platelets and endothelial cells are in good agreement with our previous data concerning the antioxidant/anti‐inflammatory activity exhibited by our previous PDE4Is and similarly to other well‐known PDE4Is.
Dietary supplement use among adult survivors of childhood cancer: A report from the St. Jude Lifetime Cohort Study
Authors: Zhang Fang Fang , Hudson Melissa M. , Chen Fan , Li Zhongyu , Huang I‐Chan , Bhakta Nickhill , Ness Kirsten K. , Brinkman Tara M. , Klosky James , Ojha Rohit P. , Lanctot Jennifer Q. , Robison Leslie L. , Krull Kevin R.
Published: February 2023

Background

Adult survivors of childhood cancer have poor adherence to nutrition guidelines and inadequate intake of dietary vitamins D and E, potassium, fiber, magnesium, and calcium. The contribution of vitamin and mineral supplement use to total nutrient intake in this population is unclear.

Methods

We examined the prevalence and dose of nutrient intake among 2570 adult survivors of childhood cancer participating in the St. Jude Lifetime Cohort Study, and the association of dietary supplement use with treatment exposures, symptom burden, and quality of life.

Results

Nearly 40% of the adult survivors of cancer survivors reported regular use of dietary supplements. Although cancer survivors who used dietary supplements were less likely to have inadequate intake of several nutrients, they were also more likely to have excessive intake (total nutrient intake ≥ tolerable upper intake levels) of folate (15.4% vs. 1.3%), vitamin A (12.2% vs. 0.2%), iron (27.8% vs. 1.2%), zinc (18.6% vs. 1%), and calcium (5.1% vs. 0.9%) compared with survivors who did not use dietary supplements (all p < 0.05). Treatment exposures, symptom burden, and physical functioning were not associated with supplement use, whereas emotional well‐being and vitality were positively associated with supplement use among childhood cancer survivors.

Conclusions

Supplement use is associated with both inadequate and excessive intake of specific nutrients, but positively impacts aspects of quality of life among childhood cancer survivors.
Neuronal circuits within the homing pigeon hippocampal formation
Authors: Rook Noemi , Stacho Martin , Schwarz Ariane , Bingman Verner P. , Güntürkün Onur
Published: February 2023

The current study aimed to reveal in detail patterns of intrahippocampal connectivity in homing pigeons (Columba livia). In light of recent physiological evidence suggesting differences between dorsomedial and ventrolateral hippocampal regions and a hitherto unknown laminar organization along the transverse axis, we also aimed to gain a higher‐resolution understanding of the proposed pathway segregation. Both in vivo and high‐resolution in vitro tracing techniques were employed and revealed a complex connectivity pattern along the subdivisions of the avian hippocampus. We uncovered connectivity pathways along the transverse axis that started in the dorsolateral hippocampus and continued to the dorsomedial subdivision, from where information was relayed to the triangular region either directly or indirectly via the V‐shaped layers. The often‐reciprocal connectivity along these subdivisions displayed an intriguing topographical arrangement such that two parallel pathways could be discerned along the ventrolateral (deep) and dorsomedial (superficial) aspects of the avian hippocampus. The segregation along the transverse axis was further supported by expression patterns of the glial fibrillary acidic protein and calbindin. Moreover, we found strong expression of Ca2+/calmodulin‐dependent kinase IIα and doublecortin in the lateral but not medial V‐shape layer, indicating a difference between the two V‐shaped layers. Overall, our findings provide an unprecedented, detailed description of avian intrahippocampal pathway connectivity, and confirm the recently proposed segregation of the avian hippocampus along the transverse axis. We also provide further support for the hypothesized homology of the lateral V‐shape layer and the dorsomedial hippocampus with the dentate gyrus and Ammon's horn of mammals, respectively.
Design of a portable implementation of partitioned point‐to‐point communication primitives
Authors: Marts W. Pepper , Worley Andrew , Soundarajan Prema , Schafer Derek , Dosanjh Matthew G. F. , Grant Ryan E. , Bangalore Purushotham V. , Skjellum Anthony , Ghafoor Sheikh
Published: February 2023

The Message Passing Interface (MPI) has been the dominant message passing solution for scientific computing for decades. MPI point‐to‐point communications are highly efficient mechanisms for process‐to‐process communication. However, MPI performance when processes utilize multiple threads is slowed by concurrency protections in the MPI library. MPI's current thread level interface imposes these overheads throughout the library when thread safety is needed. While much work has been done to reduce multithreading overheads in MPI, a solution is needed that reduces the number of messages exchanged in a threaded environment. Partitioned communication is included in the MPI 4.0 standard as an alternative that addresses the challenges of multithreaded communication in MPI today. Partitioned communication reduces overall message volume by creating a buffer‐sharing mechanism between threads such that they can indicate when portions of a communication buffer are available to be sent. Separation of the control and data planes in MPI is enabled by allowing persistent initialization and single occurrence message buffer matching from the indication that the data is ready to be sent. This enables the usage of underlying hardware primitives like triggered operations, where commands (destination, size, etc.) can be set up prior to data buffer readiness and readiness triggered with a simple doorbell/counter later. This approach is useful for future development of MPI operations in environments where traditional networking commands can have performance challenges, like accelerators (GPUs, FPGAs). In this paper, we detail the design and implementation of a layered library (built on top of MPI‐3.1) and an integrated Open MPI solution that supports the new, MPI‐4.0 partitioned communication feature set. The library will enable applications to use currently released MPI implementations and older legacy libraries to provide partitioned communication support while also enabling further exploration of this new communication model in new applications and use cases. We will compare the designs of the library and native Open MPI support, provide performance results and comparisons between the two approaches, and lessons learned from the implementation of partitioned communication in both library and native forms. We find that the native implementation and library have similar performance with a percentage difference under 0.94% in microbenchmarks and performance within 5% for a partitioned communication enabled proxy application.
Opportunities and Challenges of Disease Progression Modeling in Drug Development – An IQ Perspective
Authors: Goteti Kosalaram , Hanan Nathan , Magee Mindy , Wojciechowski Jessica , Mensing Sven , Lalovic Bojan , Hang Yaming , Solms Alexander , Singh Indrajeet , Singh Rajendra , Rieger Theodore Robert , Jin Jin Y.
Published: February 2023

Disease progression modeling (DPM) represents an important model‐informed drug development framework. The scientific communities support the use of DPM to accelerate and increase efficiency in drug development. This article summarizes International Consortium for Innovation & Quality (IQ) in Pharmaceutical Development mediated survey conducted across multiple biopharmaceutical companies on challenges and opportunities for DPM. Additionally, this summary highlights the viewpoints of IQ from the 2021 workshop hosted by the US Food and Drug Administration (FDA). Sixteen pharmaceutical companies participated in the IQ survey with 36 main questions. The types of questions included single/multiple choice, dichotomous, rank questions, and open‐ended or free text. The key results show that DPM has different representation, it encompasses natural disease history, placebo response, standard of care as background therapy, and can even be interpreted as pharmacokinetic/pharmacodynamic modeling. The most common reasons for not implementing DPM as frequently seem to be difficulties in internal cross‐functional alignment, lack of knowledge of disease/data, and time constraints. If successfully implemented, DPM can have an impact on dose selection, reduction of sample size, trial read‐out support, patient selection/stratification, and supportive evidence for regulatory interactions. The key success factors and key challenges of disease progression models were highlighted in the survey and about 24 case studies across different therapeutic areas were submitted from various survey sponsors. Although DPM is still evolving, its current impact is limited but promising. The success of such models in the future will depend on collaboration, advanced analytics, availability of and access to relevant and adequate‐quality data, collaborative regulatory guidance, and published examples of impact.
Foliar‐applied sulfate and potassium does not reduce rice grain arsenic concentrations nor straighthead severity
Authors: Pinson Shannon R. M. , Heuschele Deborah Jo , Isbell Chris , Li Jifeng , Vandal Matthew P. , Smith Aaron P.
Published: February 2023

Arsenic (As) is naturally present in all soils and can accumulate to toxic levels in rice (Oryza sativa L.) grains under some production conditions. It can also reduce grain yields, posing a double threat to global food security. Plant genetics can affect the amount of As accumulated in grains. A growing body of evidence suggests that one mechanism plants use to detoxify As and limit As concentrations in grains (grain‐As) is to sequester As in vegetative tissues. We evaluated 17 rice cultivars previously shown to have contrastingly high or low grain‐As. Cultivars high in grain‐As commonly transferred As out of their flag leaves during grain fill, while all eight cultivars having low grain‐As retained As in flag leaves, effectively excluding it from transfer to developing grains. Sequestration of As in cell vacuoles involves several sulfur (S)‐containing compounds. We hypothesized that enhanced leaf concentration of S via foliar fertilization could further reduce grain‐As. Effect of foliar‐S on grain‐As was studied in field‐scale and plot experiments. The plot study included cultivars known to contrastingly retain As in flag leaves during grain fill grown in both As‐enriched and Native (non‐enriched) soils, and included severity ratings for rice straighthead, an As‐induced disorder. Contrary to the hypothesis, while foliar‐S did increase grain‐S concentrations, it did not prove useful for reducing grain‐As, nor did it reduce straighthead severity, possibly because soil was not deficient in S or plants used a biochemical mechanism other than S‐related As chelation and sequestration to retain As in leaves.
Mature dendritic cells enriched in immunoregulatory molecules (mregDCs): A novel population in the tumour microenvironment and immunotherapy target
Authors: Li Jiaxin , Zhou Jun , Huang Huanhuan , Jiang Jiahuan , Zhang Ting , Ni Chao
Published: February 2023

Background

Dendritic cells (DCs) mediate divergent immune effects by activating T cells or negatively regulating the immune response to promote immune tolerance. They perform specific functions determined by their tissue distribution and maturation state. Traditionally, immature and semimature DCs were described to have immunosuppressive effects, leading to immune tolerance. Nonetheless, recent research has demonstrated that mature DCs can also suppress the immune response under certain circumstances.

Main body

Mature DCs enriched in immunoregulatory molecules (mregDCs) have emerged as a regulatory module across species and tumour types. Indeed, the distinct roles of mregDCs in tumour immunotherapy have sparked the interest of researchers in the field of single‐cell omics. In particular, these regulatory cells were found to be associated with a positive response to immunotherapy and a favourable prognosis.

Conclusion

Here, we provide a general overview of the latest and most notable advances and recent findings regarding the basic features and complex roles of mregDCs in nonmalignant diseases and the tumour microenvironment. We also emphasise the important clinical implications of mregDCs in tumours.
In a niche‐neutral continuum, a set of theoretical models in a metacommunity operates simultaneously in patchy habitats
Authors: Yunoki Takayuki
Published: February 2023

This study investigated the origins and maintenance of biodiversity by integrating ecological and evolutionary mechanisms into a spatially‐explicit synthesis between niche‐based processes and neutral dynamics (ND). An individual‐based model on a two‐dimensional grid with periodic boundary conditions was used to compare a niche‐neutral continuum induced in contrasting spatial and environmental settings while characterizing the operational scaling of deterministic‐stochastic processes. The spatially‐explicit simulations revealed three major findings. First, the number of guilds in a system approaches a stationary state and the species composition in a system converges to a dynamic equilibrium of ecologically‐equivalent species generated by the speciation–extinction balance. This convergence of species composition can be argued under a point mutation mode of speciation and niche conservatism due to the duality of ND. Second, the dispersal modes of biota may affect how the influence of environmental filtering changes across ecological–evolutionary scales. This influence is greatest in compactly‐packed areas within biogeographic units for large‐bodied active dispersers, such as fish. Third, the species are filtered along the environmental gradient and the coexistence of ecologically‐different species in each local community in a homogeneous environment is allowed by dispersals in a set of local communities. Therefore, the ND among the single‐guild species, extinction–colonization trade‐off among species of similar environmental optima and different levels of specialization, and mass effect, such as weak species–environment associations, operate simultaneously in patchy habitats. In spatially‐explicit synthesis, characterizing where a metacommunity falls along a niche‐neutral continuum is too superficial and involves an abstraction that any biological process is probabilistic; therefore, they are dynamic–stochastic processes. The general patterns observed in the simulations allowed a theoretical synthesis of a metacommunity and explained the complex patterns observed in the real world.
Review of range‐wide vital rates quantifies eastern wild Turkey population trajectory
Authors: Londe David W. , Moeller Anna K. , Lukacs Paul M. , Fuhlendorf Samuel D. , Davis Craig A. , Elmore Robert Dwayne , Chitwood M. Colter
Published: February 2023

Recent declines in eastern wild turkeys (Meleagris gallopavo silvestris) have prompted increased interest in management and research of this important game species. However, the mechanisms underlying these declines are unclear, leaving uncertainty in how best to manage this species. Foundational to effective management of wildlife species is understanding the biotic and abiotic factors that influence demographic parameters and the contribution of vital rates to population growth. Our objectives for this study were to (1) conduct a literature review to collect all published vital rates for eastern wild turkey over the last 50 years, (2) perform a scoping review of the biotic and abiotic factors that have been studied relative to wild turkey vital rates and highlight areas that require additional research, and (3) use the published vital rates to populate a life‐stage simulation analysis (LSA) and identify the vital rates that make the greatest contribution to population growth. Based on published vital rates for eastern wild turkey, we estimated a mean asymptotic population growth rate (λ) of 0.91 (95% CI = 0.71, 1.12). Vital rates associated with after‐second‐year (ASY) females were most influential in determining population growth. Survival of ASY females had the greatest elasticity (0.53), while reproduction of ASY females had lower elasticity (0.21), but high process variance, causing it to explain a greater proportion of variance in λ. Our scoping review found that most research has focused on the effects of habitat characteristics at nest sites and the direct effects of harvest on adult survival, while research on topics such as disease, weather, predators, or anthropogenic activity on vital rates has received less attention. We recommend that future research take a more mechanistic approach to understanding variation in wild turkey vital rates as this will assist managers in determining the most appropriate management approach.
Thermal heterogeneity is an important factor for maintaining the genetic differentiation pattern of the pelagic barnacle Lepas anatifera in the northwest Pacific
Authors: Lin Xiao‐Nie , Hu Li‐Sha , Chen Zhao‐Hui , Dong Yun‐Wei
Published: February 2023

Macrobenthic invertebrates are ubiquitously distributed in the epipelagic zone of the open ocean. Yet, our understanding of their genetic structure patterns remains poorly understood. Investigating the genetic differentiation patterns of pelagic Lepas anatifera and clarifying the potential roles of temperature maintaining this pattern are crucial for our understanding of the distribution and biodiversity of pelagic macrobenthos. In the present study, mitochondrial cytochrome oxidase subunit I (mtDNA COI) from three South China Sea (SCS) populations and six Kuroshio Extension (KE) region populations of L. anatifera sampled from fixed buoys and genome‐wide SNPs from a subset of populations (two SCS populations and four KE region populations) were sequenced and analyzed for investigating the genetic pattern of the pelagic barnacle. Water temperature was different among sampling sites; in other words, the water temperature decreased with latitude increases, and the water temperature on the surface was higher than in the subsurface. Our result showed that three lineages with clear genetic differentiation were found in different geographical locations and depths based on mtDNA COI, all SNPs, neutral SNPs, and outlier SNPs. Lineage 1 and lineage 2 were dominant in the subsurface populations and surface populations from the KE region, respectively. Lineage 3 was dominant in the SCS populations. Historical events during the Pliocene epoch shaped the differentiation of the three lineages, while, nowadays, temperature heterogeneity maintains the current genetic pattern of L. anatifera in the northwest Pacific. The subsurface populations were genetically isolated from the surface populations in the Kuroshio Extension (KE) region, implying small‐scale vertical thermal heterogeneity was also an important factor maintaining the genetic differentiation pattern of the pelagic species.