bluuebunny/crossref_metadata_2025_split huggingface dataset:
Frequency of Comorbid Pathologies and Their Clinical Impact in Multiple System Atrophy
Authors: Sekiya Hiroaki , Koga Shunsuke , Murakami Aya , DeTure Michael , Ross Owen A. , Uitti Ryan J. , Cheshire William P. , Wszolek Zbigniew K. , Dickson Dennis W. 
Published: November 2023

AbstractBackgroundMixed pathology is common at autopsy for a number of age‐associated neurodegenerative disorders; however, the frequency of comorbid pathologies in multiple system atrophy (MSA) and their clinical correlations are poorly understood.ObjectiveWe determined the frequency of comorbid pathologic processes in autopsy‐confirmed MSA and assessed their clinical correlates.MethodsThis study included 160 neuropathologically established MSA from the Mayo Clinic brain bank. Clinical information, including age at onset or death, clinical subtype, initial symptoms, antemortem clinical diagnosis, and cognitive dysfunction was collected. We assessed comorbid pathologies including Alzheimer's disease neuropathologic change, Lewy‐related pathology, argyrophilic grain disease, age‐related τ astrogliopathy, transactive DNA‐binding protein 43 pathology, cerebral amyloid angiopathy, and cerebrovascular small vessel disease and examined their clinical impact.ResultsThe majority of MSA patients (62%) had no significant comorbid pathologies. There was a positive correlation between age at onset or death with the number of comorbid pathologies; however, even in the highest quartile group (average age at death 78 ± 6 years), the average number of comorbid pathologies was <2. Logistic regression analysis revealed that none of the assessed variables, including sex, age at onset, and the presence or absence of each comorbid pathology, were significantly associated with cognitive dysfunction.ConclusionsThe majority of MSA patients do not have comorbid pathologies, even in advanced age, indicating that MSA is unique among neurodegenerative disorders in this regard. There was minimal clinical impact of comorbid pathologies in MSA. These findings warrant focusing on α‐synuclein for the treatment strategy for MSA. © 2023 International Parkinson and Movement Disorder Society.
Ab initio artificial intelligence: Future research of Materials Genome Initiative
Authors: Li He , Xu Yong , Duan Wenhui 
Published: November 2023

AbstractThe marriage of artificial intelligence (AI) and Materials Genome Initiative (MGI) could profoundly change the landscape of modern materials research, leading to a new paradigm of data‐driven and AI‐driven materials discovery. In this perspective, we will give an overview on the central role of AI in the MGI research. In particular, an emerging research field of ab initio AI, which applies state‐of‐the‐art AI techniques to help solve bottleneck problems of ab initio computation, will be introduced. The development of ab initio AI will greatly accelerate high‐throughput computation, promote the construction of large materials database, and open new opportunities for future research of MGI.
Dental wear in a marine economy: A case study from Philistine Ashkelon
Authors: Kalisher Rachel , Master Daniel M. , Bailey Shara E. , Bromage Timothy G. 
Published: November 2023

AbstractIn the Iron Age IIA Philistine cemetery at Ashkelon (modern Israel), roughly 11% of individuals exhibit severe and highly variable dental wear, which we explore here at two timescales: wear that accumulates over days and weeks (microwear) and wear that accumulates over months and years (macrowear). Using teeth from both adult and nonadult individuals, we first established categories of dental macrowear patterns and sorted individuals within them. We then made replicas of the teeth from 27 individuals having both typical and atypical dental wear and performed metrology by noncontact profilometry on a reflected light microscope. We then calculated each tooth's surface roughness (Sa) and collected qualitative observations of teeth within each macrowear category. Our findings show no macrowear or microwear pattern exclusive to sex or age group. Likewise, there are no statistically significant differences (p < 0.05) in Sa between adult males and females, and sampled nonadults fall within two standard deviations of the pooled adult means. The microscopic surfaces of all teeth show a wide variety of textures on the occlusal surfaces, including wavy striations, deep parallel striations, globular pitting, and newly described rectangular pits. These results indicate that individuals used their teeth as a third hand while manipulating objects and that children also participated in these activities. Due to the similarities in dental wear between Ashkelon and other coastal populations, we conclude that the observed wear patterns arose from the performance of specialized tasks for a marine‐based economy.
Polygenic risk of obesity and BMI trajectories over 36 years: A longitudinal study of adult Finnish twins
Authors: Berntzen Bram J. , Palviainen Teemu , Silventoinen Karri , Pietiläinen Kirsi H. , Kaprio Jaakko 
Published: November 2023

AbstractObjectiveThis study investigated 36‐year BMI trajectories in twins whose BMI in young adulthood was below, within, or above their genetically predicted BMI, with a focus on twin pairs with large intrapair BMI differences (within‐pair ΔBMI ≥ 3 kg/m2).MethodsTogether, 3227 like‐sexed twin pairs (34% monozygotic) were examined at age ~30 years in 1975 and followed up in 1981, 1990, and 2011. An individual's observed BMI in 1975 was considered within (±2.0), below (<−2.0), or above (>+2.0) genetically predicted BMI, measured by a polygenic risk score of 996,919 single nucleotide polymorphisms.ResultsIn monozygotic and dizygotic twin pairs with large intrapair BMI differences, the co‐twin with a higher observed BMI in 1975 deviated above predicted BMI more frequently (~2/3) than the co‐twin with a lower BMI deviated below prediction (~1/3). Individuals below, within, and above prediction in 1975 reached, respectively, normal weight, overweight, and obesity by 2011, with a mean BMI increase of 4.5 (95% CI: 4.3–4.8).ConclusionsCategorizing BMI as below, within, or above polygenic risk score‐predicted BMI helps identifying individuals who have been resistant or susceptible to weight gain. This may provide new insights into determinants and consequences of obesity.
Unraveling the Mechanism of Doping Borophene
Authors: Hembram Kailash Pati Shiva Sankar , Park Jeongwon , Lee Jae‐Kap 
Published: November 2023

AbstractWe elucidate the doping mechanism of suitable elements into borophene with first‐principles density functional theory calculation. During doping with nitrogen (N), the sp2 orbitals are responsible for arranging themselves to accommodate the electron of the N atom. Doping dramatically changes structure and electronic properties from corrugated and metallic borophene to flat and insulating h‐BN with 100 % N‐doping. We extend the mechanism of N‐doping in borophene to doping of non‐metallic and metallic ad‐atoms on borophene. Our findings will help to design boron‐based 2D materials.
Relaxation approach for optimization of free boundary problems
Authors: Zurloh Corinna , Pinnau René 
Published: November 2023

AbstractWe consider an optimal control problem (OCP) constrained by a free boundary problem (FBP). FBPs have various applications such as in fluid dynamics, flow in porous media or finance. For this work we study a model FBP given by a Poisson equation in the bulk and a Young‐Laplace equation accounting for surface tension on the free boundary. Transforming this coupled system to a reference domain allows to avoid dealing with shape derivatives. However, this results in highly nonlinear partial differential equation (PDE) coefficients, which makes the OCP rather difficult to handle. Therefore, we present a new relaxation approach by introducing the free boundary as a new control variable, which transforms the original problem into a sequence of simpler optimization problems without free boundary. In this paper, we formally derive the adjoint systems and show numerically that a solution of the original problem can be indeed asymptotically approximated in this way.
Successful enteral administration of crushed posaconazole delayed‐release tablets in children
Authors: Bio Laura L. , Hiroshima Lyndsie , Schwenk Hayden T. , Green Sean 
Published: November 2023

AbstractErratic absorption of posaconazole oral suspension necessitates frequent dosing and administration with meals or supplements. Alternative enteral formulations are desirable for patients intolerant to enteral nutrition. Crushed posaconazole delayed‐release tablets (POS‐DRT) show promise in adults; limited evidence exists in children. We used crushed POS‐DRT in 10 encounters with nine pediatric patients, achieving target POS concentrations in 90% of encounters. This highlights crushed POS‐DRT as a potential enteral option for pediatric antifungal prophylaxis and treatment.
Genetic monitoring for effective plant conservation: An example using the threatened Saxifraga hirculus L. in Scotland
Authors: Finger Aline , Macdonald Iain , Hollingsworth Peter M. 
Published: November 2023

Societal Impact StatementMany mountain plants persist in small, isolated patches on the verge of extinction. Observational methods of monitoring these populations, such as recording the number of flowering stems, do not indicate the number of genetically distinct individuals, which is crucial information for conserving small populations. Here, the rate of clonal reproduction and number of genetic individuals were measured in the threatened Saxifraga hirculus in Scotland. These methods showed that population size is a poor proxy for genotype diversity and identified highly diverse small populations that may otherwise have been overlooked. This highlights the necessity of using genetic data to ensure the successful conservation of threatened plants.Summary

Habitat fragmentation and loss increase the isolation of plant populations, increasing the occurrence of within population reproduction, and the potential for negative genetic effects, such as inbreeding depression and loss of genetic diversity. We use the European protected Marsh Saxifrage (Saxifraga hirculus) in Scotland as an example for declining perennial plants and the genetic resources they encapsulate. S. hirculus has declined due to agricultural intensification, drainage, industrial afforestation and grazing. The species can spread by seed or vegetatively through the production of rhizomes. Flowering is rare though due to grazing, which limits sexual reproduction and gene flow.
An almost complete genetic inventory of Scottish populations was done using 11 microsatellite markers. Furthermore, archived DNA samples were used to document temporal genetic changes.
We showed that clonal growth is predominant in some populations and genetic diversity (HS and allelic richness) is relatively high. However, the number of genetically distinct individuals (genets) per population is extremely low (3–34). Archived DNA samples showed that some populations consist of the same few genets with no evidence for turnover. Thus, while clonal growth may have helped the species to persist, there is limited creation of new gene combinations.
Our findings highlight that reducing grazing pressure and increasing gene flow will be essential to rescue this species from its evolutionary dead end. We demonstrate the benefits of genetic monitoring for determining census population sizes and thus effective plant management and conservation. This work further sets out a strategy for moving this species towards demographic and genetic sustainability.
Lowest electronic states of neutral and ionic LiN
Authors: Mohammadi Mohsen Doust , Bhaskaran Renjith , Abdullah Hewa Y. , Abdallah Hassan H. , Biskos George , Bhowmick Somnath 
Published: November 2023

AbstractWe have investigated the potential energy curves (PECs) of the LiN heteronuclear diatomic molecule, including its ionic species LiN+ and LiN−, using explicitly correlated multi‐reference configuration interaction (MRCI‐F12) calculations in conjunction with the correlation consistent quintuple‐𝜁 basis set. The effect of core–valence correlation, scalar relativistic effects, and the size of the basis sets has been investigated. A comprehensive set of spectroscopic constants determined based on the above‐mentioned calculations are also reported for the lowest electronic states and all systems, including dissociation energies, harmonic and anharmonic vibrational frequencies, and rotational constants. Additional parameters, such as the dipole moments, equilibrium spin‐orbit constants, excitation energies, and rovibrational energy levels, are also documented. We found that the three triplet states of LiN, namely, X 3∑−, A 3Π, and 2 3∑−, exhibit substantial potential wells in the PEC diagrams, while the quintet states are repulsive in nature. The ground state of the anion also shows a deep potential well in the vicinity of its equilibrium geometry. In contrast, the ground and excited states of the cation are very loosely bound. Charge transfer properties of each of these states are also analyzed to obtain an in‐depth understanding of the interatomic interactions. We found that the core–valence correlation has a substantial effect on the calculated spectroscopic constants.
Macroinvertebrates beta diversity and responses of functional traits to water environmental factors in the Qingyijiang River, China
Authors: Sun Jiuxing , Xu Guanglai , Chi Jianyu , Zheng Qihang , Zhang Ting 
Published: November 2023

AbstractThe diversity of functional traits of macroinvertebrates in freshwater ecosystems is one of the current research hotspots in the field of biodiversity. Understanding the functional trait composition of macroinvertebrates and their factors can make the study of watershed beta diversity and river ecological security patterns more effective. Based on two field surveys conducted in September 2020 and July 2021 in the Qingyijiang (QYJ) River, the longest tributary on the south bank of the lower Yangtze River in China, we explored the functional trait compositions of macroinvertebrates and relationships between functional traits and water environment factors using functional diversity indices, beta diversity decomposition, R‐mode linked to Q‐mode, and fourth‐corner analysis methods. Our results showed that water environmental factors affected the distribution of macroinvertebrates traits, and the degree of effect was reflected by the correlation between water environmental factors and the abundance of species traits. Physical factors like flow velocity and water depth were significantly correlated with biological traits of species such as body size and swimming ability. In counterparts, some nutrient indicators significantly affected species ecological traits, such as total phosphorus, ammonia nitrogen, and chemical oxygen demand, which affected species habits and functional feeding group traits. At the same time, we also found a high turnover rate between communities in the river, reflecting the strong dispersal ability of the species. This will be an important guide for the conservation of macroinvertebrates diversity in the river. Local governments can take measures such as conducting quarterly monitoring of macroinvertebrates species; restoring riparian vegetation; limiting hardening of riverbanks and dredging of rivers; controlling wastewater discharges from residential areas on both sides of the river; controlling the use of pesticides in agricultural lands, and so on. These will become the key directions for the conservation of macroinvertebrates diversity.
Measuring the change in behavior of a system with a single metric
Authors: Schoenberg William , Eberlein Robert , Davidsen Pål 
Published: November 2023

AbstractLoops that Matter (LTM) provides a practical and comprehensive way to understand which feedback loops are driving model behavior at different points in time. LTM describes from which loops the observed change in behavior across all stocks in the model originate. In this paper we present a method to measure the magnitude of the change in behavior of all stocks in the model based on net flow values, relative to the magnitude of change taking place across an entire observation (simulation) period. We call this new metric the “system change”. We then demonstrate how our system change metric can be visualized using loop scores to highlight those loops that are predominantly responsible for the changes in behavior exhibited by the model. This helps analysts focus in on the feedback loops that are prime candidates for interventions to change the model behavior. © 2023 The Authors. System Dynamics Review published by John Wiley & Sons Ltd on behalf of System Dynamics Society.
Organocatalyst Promoted Efficient Synthesis of Carboxylic Acid Esters and its Application as Plasticizer for Polyvinyl Chloride
Authors: Kumbhar Haribhau , Tiwari Saurabh , Gupta Virendrakumar 
Published: November 2023

AbstractThe present work is related to the synthesis of a carboxylic acid ester using lab synthesized triphenylphosphonium triflate catalyst and its application as a plasticizer for polyvinyl chloride (PVC) processing. The high thermal stability of this organocatalyst allows the synthesis of terephthalic acid di‐esters with high boiling alcohols such as 1‐butanol, 2‐ethyl hexanol with higher yield in the range of 55–97 %. Different ester derivatives like dioctyl phthalate (DOP), dioctyl terephthalate (DOTP), n‐butyl benzoate, dibutyl terephthalate, dibutyl phthalate, and di‐dodecanol terephthalate have been synthesized using triphenylphosphonium triflate organocatalyst. These synthesized ester derivatives are characterized using 1H NMR, GC‐MS and HPLC. The purity of different synthesized esters was in the range of 80–99 %. The synthesized Dioctyl terephthalate (DOTP) was used as a plasticizer in PVC and compared the results with commercial DOP plasticizer performance for PVC. The PVC/DOTP composition exhibited comparable performance in terms of mechanical properties like tensile and flexural strength and modulus. No significant change found in hardness and impact strength of both the compositions. Ease of processing observed in case of PVC/DOTP composition due to lower torque as compared to PVC/DOP composition. This indicates DOTP can be a potential alternative to the traditional dioctyl phthalate (DOP) plasticizer for PVC processing.
Double‐Shelled Open Hollow Metal‐Organic Frameworks for Efficient Aqueous Zn‐Ion Batteries
Authors: Zhang Wen‐Da , Zou Yizhong , Zhao Han , Chen Ming , Zhou Lang , Xie Xue‐Rui , Yan Xiaodong , Pang Huan , Gu Zhi‐Guo 
Published: November 2023

AbstractMulti‐shelled hollow metal‐organic frameworks (MH‐MOFs) are highly promising as electrode materials due to their impressive surface area and efficient mass transfer capabilities. However, the fabrication of MH‐MOFs has remained a formidable challenge. In this study, two types of double‐shelled open hollow Prussian blue analogues, one with divalent iron (DHPBA‐Fe(II)) and the other with trivalent iron (DHPBA‐Fe(III)), through an innovative inner‐outer growth strategy are successfully developed. The growth mechanism is found to involve lattice matching growth and ligand exchange processes. Subsequently, DHPBA‐Fe(II) and DHPBA‐Fe(III) are employed as cathodes in aqueous Zn‐ion batteries. Significantly, DHPBA‐Fe(II) demonstrated exceptional performance, exhibiting a capacity of 92.5 mAh g−1 at 1 A g−1, and maintaining remarkable stability over an astounding 10 000 cycles. This research is poised to catalyze further exploration into the fabrication techniques of MH‐MOFs and offer fresh insights into the intricate interplay between electronic structure and battery performance.
Solvothermal Synthesis and Pyrolysis Toward Heteroatom‐Doped Carbon Microspheres for Zinc‐Ion Hybrid Capacitors
Authors: Huang Lingqi , Gu Zilong , He Wenqing , Shi Kaiyuan , Peng Liangfen , Sheng Zhongyi , Zhang Fei , Feng Wei , Liu Heyang 
Published: November 2023

AbstractHeteroatom‐doped porous carbon materials have investigated to promote the energy density of zinc‐ion hybrid capacitors (ZICs). Yet, the quest for high‐performance carbon materials or cathodes brings to light the question of which dopants facilitate fast energy storage kinetics and various types of pseudocapacitive reactions. Investigation of carbon materials with precise quantitative dopants as the key variable represents an effective appropriate approach to comprehending the intricate role of dopants in energy storage areas. Here, a straightforward solvothermal strategy is demonstrated for a variety of pristine and iron‐incorporated polymer microspheres, used as precursors for durable spherical carbons intended for cathode applications in ZICs. The strategy effectively governs the incorporation of dopants within the carbon materials, whilewhile maintaining consistent morphology, microtexture, and pore structure across different carbon variations. The synergistic effect of various dopants enhance the pseudocapacitance and facilitate the ion storage process. In consequence, the optimal cathode delivers considerable capacity (178.8 mAh g−1 at 0.5 A g−1), good energy density (120.2 Wh kg−1 at 336 W kg−1), and excellent cycling stability (101.5% capacity retention at 35 000 cycles). The demonstration showcases a viable method for crafting carbon materials with precise dopants to accommodate the zinc anode, thus enabling high‐capacity and high‐energy ZICs.
Hydrogenated V2O5 with Improved Optical and Electrochemical Activities for Photo‐Accelerated Lithium‐Ion Batteries
Authors: Lu Yinan , Andersen Holly , Wu Ruiqi , Ganose Alex M. , Wen Bo , Pujari Arvind , Wang Tianlei , Borowiec Joanna , Parkin Ivan P. , De Volder Michael , Boruah Buddha Deka 
Published: November 2023

AbstractSolar power represents an abundant and readily available source of renewable energy. However, its intermittent nature necessitates external energy storage solutions, which can often be expensive, bulky, and associated with energy conversion losses. This study introduces the concept of a photo‐accelerated battery that seamlessly integrates energy harvesting and storage functions within a single device. In this research, a novel approach for crafting photocathodes is presented using hydrogenated vanadium pentoxide (H:V2O5) nanofibers. This method enhances optical activity, electronic conductivity, and ion diffusion rates within photo‐accelerated Li‐ion batteries. This study findings reveal that H:V2O5 exhibits notable improvements in specific capacity under both dark and illuminated conditions. Furthermore, it demonstrates enhanced diffusion kinetics and charge storage performance when exposed to light, as compared to pristine counterparts. This strategy of defect engineering holds great promise for the development of high‐performance photocathodes in future energy storage applications.