bluuebunny/crossref_metadata_2025 huggingface dataset:
Plasticity drives the trait variation of a foundation marsh species migrating into coastal forests with sea‐level rise
Authors: Kottler Ezra J. , Hamilton Matthew B. , Gedan Keryn B.
Published: August 2024

Climate‐driven ecosystem shifts occur through turnover in the foundation species which structure the landscape. Therefore, to predict the fate of areas undergoing climate‐driven ecosystem shifts, one approach is to characterize ecological and evolutionary responses of foundation species along dynamic environmental gradients. One such gradient is the ecotone between tidal marshes and maritime forests in coastal areas of the US Mid‐Atlantic region where accelerated sea‐level rise and coastal storms of increased frequency and intensity are driving forest dieback and inland marsh migration. Mid‐Atlantic tidal marshes are structured by marsh grasses which act as foundation species, and these grasses exhibit trait variation across their distribution from established marsh interior to their inland migration front. We conducted a reciprocal transplant experiment with Spartina patens, a dominant high marsh grass and foundation species, between established populations in the high marsh and range edge populations in the forest understory at three Mid‐Atlantic sites. We monitored environmental conditions in marsh and forest understory habitats, measured plant traits (above‐ and belowground biomass, specific leaf area, leaf N and C concentrations) in transplanted and reference non‐transplanted individuals, and used microsatellite markers to determine the genetic identity of transplants to quantify clonality between habitats and sites. Individuals transplanted into the forest understory exhibited a plastic shift in resource allocation to aboveground structures associated with light acquisition, with shifts in transplants making them more morphologically similar to reference individuals sampled from the forest habitat. Clonal diversity and genetic distance among transplants were relatively high at two of three sites, but individuals at all sites exhibited trans‐habitat plasticity regardless of clonal diversity or a lack thereof. Individuals grown in the forest understory showed lower vegetative and reproductive fitness. Nevertheless, the trait plasticity exhibited by this species allowed individuals from the forest that were transplanted into the marsh to recoup significant biomass in only a single growing season. We predict high plasticity will facilitate the persistence of colonizing S. patens individuals under suboptimal forest shade conditions until forest dieback increases light availability, ultimately promoting continued inland migration of this foundation species under sea‐level rise.
Prediction of 90 day readmission in heart failure with preserved ejection fraction by interpretable machine learning
Authors: Zheng Baojia , Liang Tao , Mei Jianping , Shi Xiuru , Liu Xiaohui , Li Sikai , Wan Yuting , Zheng Yifeng , Yang Xiaoyue , Huang Yanxia
Published: August 2024

Aims

Certain critical risk factors of heart failure with preserved ejection fraction (HFpEF) patients were significantly different from those of heart failure with reduced ejection fraction (HFrEF) patients, resulting in the limitations of existing predictive models in real‐world situations. This study aimed to develop a machine learning model for predicting 90 day readmission for HFpEF patients.

Methods and Results

Data were extracted from electronic health records from 1 August 2020 to 1 August 2021 and follow‐up records of patients with HFpEF within 3 months after discharge. Feature extraction was performed by univariate analysis combined with the least absolute shrinkage and selection operator (LASSO) algorithms. Machine learning models like eXtreme Gradient Boosting (XGBoost), random forest, neural network and logistic regression were adopted to construct models. The discrimination and calibration of each model were compared, and the Shapley Additive exPlanations (SHAP) method was used to explore the interpretability of the model. The cohort included 746 patients, of whom 103 (13.8%) were readmitted within 90 days. XGBoost owned the best performance [area under the curve (AUC) = 0.896, precision‐recall area under the curve (PR‐AUC) = 0.868, sensitivity = 0.817, specificity = 0.837, balanced accuracy = 0.827]. The Kolmogorov–Smirnov (KS) statistic was 0.694 at 0.468 in the XGBoost model. SHAP identified the top 12 risk features, including activities of daily living (ADL), left atrial dimension (LAD), left ventricular end‐diastolic diameter (LVDD), shortness, nitrates, length of stay, nutritional risk, fall risk, accompanied by other symptoms, educational level, anticoagulants and edema.

Conclusions

Our model could help medical agencies achieve the early identification of 90 day readmission risk in HFpEF patients and reveal risk factors that provide valuable insights for treatments.
The social amplification of illusory correlations
Authors: Mendonça Cristina , Mata André , Ferreira Mário Boto , Alves Hans
Published: August 2024

Illusory correlations are thought to underlie many undesirable judgements and behaviours, such as those that result in out‐group discrimination. In this research, illusory correlations are investigated in a dynamic fashion using the serial reproduction paradigm. Specifically, participants learned about members of certain groups and behaviours that they performed or attributes that they possessed. Afterwards, they were asked to recall that information and pass it on to other participants, such that whatever memory bias they produced was built into the information that was presented to others. Results revealed a weak tendency for the first participants to perceive an illusory correlation between certain groups and certain behaviours or attributes. More importantly, this pattern grew stronger as information was communicated across participants in a communication chain. That is, the illusory correlation became larger as the information passed from one participant to the next. These results show how biases can grow in society, such that what starts out as a very small misperception can acquire large proportions when incorrect information travels through different people.
Investigation of sample handling steps for accurate heparan sulphate disaccharide analysis using HPLC–MS
Authors: Pál Domonkos , Tóth Gábor , Turiák Lilla
Published: August 2024

Heparan sulphates (HSs), a specific class of glycosaminoglycans (GAGs), are important participants of cellular signalling. Analytical characterization of GAGs requires a complex sample preparation workflow. Although a detailed stability and recovery study is available for the chondroitin sulphate GAG class, the literature concerning HS is incomplete in this regard. Therefore, our aim was to systematically investigate various parameters that could potentially influence the stability and recovery of HS samples when performing disaccharide analysis using high‐performance liquid chromatography–mass spectrometry. First, effects concerning vacuum evaporation and freezing were investigated. Next, the storage stability of the HS disaccharides was analysed under several conditions such as temperature, pH, digestion buffers, injection solvents and storage vessels. We have identified several critical parameters influencing the stability and recovery of HS disaccharides. We concluded that major sample loss is expected when Tris–HCl is used as digestion buffer, followed by vacuum evaporation at elevated temperatures, or samples are stored under alkaline conditions. Following the practical considerations of this paper can contribute to increasing the reliability of future analytical measurements.
Addressing electrode passivation in lithium–sulfur batteries by site‐selective morphology‐controlled Li2S formation
Authors: Kim Ilju , Jung Jinkwan , Kim Sejin , Cho Hannah , Chu Hyunwon , Jo Wonhee , Shin Dongjae , Kwon Hyeokjin , Kim Hee‐Tak
Published: August 2024

The sulfur utilization efficiency of lithium–sulfur batteries is often limited by the uncontrolled electrodeposition of the insulating Li2S and the resulting electrode passivation. Herein, purposeful electrode and electrolyte design is used to realize site‐selective three‐dimensional (3D) Li2S electrodeposition and thus mitigate the above problem. Site‐selective Li2S nucleation is induced at the tips of CoP nanoneedles grown on a carbon cloth electrode, and the 3D growth of Li2S at these tips without the passivation of the inner part is achieved using a LiBr‐containing high‐donor‐number electrolyte. The controlled Li2S morphology is rationalized by considering the tip effect, the energy of Li2S binding on the electrode surface, and the solubility of Li2S in the electrolyte. Owing to the suppressed electrode passivation, CoP nanoneedle–decorated carbon cloth electrode and LiBr‐containing electrolyte deliver a capacity of >1400 mAh gs−1 at a current density of 0.33 A gs−1. Thus, this work paves the way for the active control of Li2S morphology for high‐performance lithium–sulfur batteries.

image
What Is the Smallest Model of a System?
Authors: Schindel William D.
Published: August 2024

How we represent systems is fundamental to the history of mathematics, science, and engineering. Model‐based engineering methods shift the nature of representation of systems from historical prose forms to explicit data structures more directly comparable to those of science and mathematics. However, using models does not guarantee simpler representation—indeed a typical fear voiced about models is that they may be too complex.

Minimality of system representations is of both theoretical and practical interest. The mathematical and scientific interest is that the size of a system's “minimal representation” is one definition of its complexity. The practical engineering interest is that the size and redundancy of engineering specifications challenge the effectiveness of systems engineering processes. INCOSE thought leaders have asked how systems work can be made 10:1 simpler to attract a 10:1 larger global community of practitioners. And so, we ask: What is the smallest model of a system?
Karpologische Untersuchungen der Steinkerne fossiler und rezenter Amygdalaceae (Rosales)
Authors: Mai Dieter Hans
Published: August 2024

Karpologische Untersuchungen ergeben wichtige Kriterien für eine Gliederung der Amygdalaceae (Drupaceae) in den Unterfamilien und Gattungen. Nach der Orientierung der Samen und den Merkmalen von Innervation und Plazentation sind die Unterfamilien Prunoideao Focke, Oemlerioideae nom. nov. et stat. nov. und Prinsepioidoae Sterling zu unterscheiden. Die Familie umfaßt gegenwärtig 5 abgrenzbare Gattungen: Maddenia Hook. f. et Thoms., Oemleria Rchb., Prinsepia Royle, Prunus L. und Pygeum Gaertn. Eine subgenerische Einteilung kann karpologisch nicht bestätigt werden. Arealgeographische Studien fúhren zur Annahme einer laurasisch‐paläo(boreo)tropischen Entstehung und eines hohen erdgeschichtlichen Alters der ganzen Familie. Aus Europa lassen sich fossile Belego nur für die Gattungen Prunus L. (Subgenera Prunus, Amygdalus (L.) Benth., Cerasus (Adans.) Focke, Padua (Moench) Focke und Lithocarpus Ingram; 23 Arten Eozän bis Pleistozän) und Prinsepia Royle (Oligozän‐Pliozän, I Art) nachweisen. Neu sínd die Arten Prinsepia kirchheimeri (Szafer) comb. nov., Prunus praecommunis (Menzel) comb. nov., P. nerchauensis sp. nov., P. schlechtendalii sp. nov., P. leporimontana sp. nov., P. moselensis sp. nov., P. pliovenosa nom. nov. und P. tenerirugosa sp. nov.
Epidermal structure and stomatal ontogeny in some Gymnosperms from Nigeria
Authors: Karatela Y. Y. , Gill L. S.
Published: August 2024

The morpho‐ontogeny of six gymnospermic taxa have been studied. All except Encephalartos barteri are aliens. In a topographical classification stomata are identified as anomocytic and cyclocytic. The ontogeny of stomata in Pinus resinosa and P. strobus is typically syndetocheilic while it is haplocheilic in Araucaria bidwillii, A. excelsa, E. barteri and Thuja orientalis. Anomocytic stomatal type is recorded in A. bidwillii, A. excelsa, P. resinosa, P. strobus whereas anomycytic/cyclocytic types of stomata are observed in Encephalartos barteri and Thuja orientalis.
Trochobryum carniolicum Breidl. & Beck., ein für die Bryoflora Rumäniens neu aufgefundenes Relikt
Authors: Mohan Gh.
Published: August 2024

Bei Aufsammlungen im Rotnei‐Gebirge (nördlicher Teil der rumänischen Karpathen) fand der Autor eine Moosart – Trochobryum carniolocum Bheidl & Beck., die neu für die Karpathen und für die rumänische Bryoflora ist.
Vegetation of inland desert wadies in Egypt VII. Ecophysiological characteristics of plant communities in wadi systems east of Minya Province
Authors: El‐Sharkawi H. M. , Ramadan A. A.
Published: August 2024

The characteristic species of the four communities previously identified in the phytosociological study of the area, as well as the characteristic species of the alliance the communities were classified under, were sampled and chemically analysed. The analysis included four of the soluble metabolites which affect the ecophysiological adjustments of plants to drought conditions, and hence their water relations, namely: soluble sugars, hydrolysable (reserve) carbohydrates, total free amino acids and soluble proteins. The data revealed that : 1 – Despite the wide differences in specific metabolite content of any species sampled from different stands, yet average content for each community shows significant differences with other communities. 2 – The differences indicate relative potentialities of each community for enduring drought, and are correlated to the previously recognized ecology of their habitats. 3 – Species, and to some extend communities, are specific at various degrees in utilising certain metabolites in adjusting to drought. 4 – The ecophysiological identity of the communities could be strongly correlated to its floristies in terms of fidelity among the characteristic species and to their edaphic environment.
Comparing development‐matched and age‐matched play targets: A replication and extension
Authors: Agana Toni Rose T. , Sidener Tina M. , Pane Heather M. , Reeve Sharon A.
Published: August 2024

Previous research has supported selecting development‐matched targets rather than age‐matched targets to teach play skills to children with autism spectrum disorder. However, few studies have been conducted, and replications and extensions of this research are needed. The current study replicated Pane et al. (2022) by comparing the acquisition of development‐matched and age‐matched play targets when teaching play skills to four children with autism. No contrived prompts or consequences were used to teach play skills in either condition. Extensions included identifying targets via a newer version of the Developmental Play Assessment, targeting different play categories, assessing additional imitation skills, and conducting a caregiver assessment to identify socially valid toys, play actions, and vocalizations based on each participant's common experiences and preferences as well as their caregiver's values and preferences. As in Pane et al., participants demonstrated a higher level of scripted play actions in the development‐matched condition.
Ibuprofen removal by modified natural zeolite: characterization, modeling, and adsorption mechanisms
Authors: Ribeiro Anna Carla , Martins Moreira Wardleison , Bruguer Ferri Bruna , dos Federici Santos Débora , Neves Olsen Scaliante Mara Heloisa , de da Costa Neves Fernandes Almeida Duarte Elizabeth , Bergamasco Rosângela
Published: August 2024

BACKGROUND

Developing robust technologies to remove emerging pollutants from water is urgent since conventional treatments are not technically prepared to remove them. This paper investigated the ibuprofen (IBU) adsorption capacity onto natural zeolite (NZ) and hydrothermally modified zeolite in an acidic medium followed by impregnation with the cationic surfactant cetyltrimethylammonium bromide (CTAB) (MZHT‐CTAB). The materials characterization included scanning electron microscopy (SEM), X‐ray diffraction (XRD), atomic absorption spectroscopy (AAS), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA/DTG), N2 adsorption/desorption isotherm (BET), Zeta Potential (ZP), and Point of Zero Charge (pHPZC). The adsorptive capacity studies were carried out by varying the pH solution, a kinetic study at three concentrations (25, 50, and 100 mg L−1), and the contaminant concentration influence (5–100 mg L−1).

RESULTS

The results showed that the MZHT‐CTAB obtained both the highest removal efficiency (~ 37%) and the highest adsorption capacity (~ 14 mg g−1) at pH 5.0. The Pseudo Second‐Order (PSO) model, which showed the best fit to the experimental data, is significant as it indicates the reliability of our results. The maximum adsorption capacity for the concentration of 100 mg L−1 was 11.93 mg g−1. According to Giles's classification, the isotherm was classified as S‐3 type, indicating the competition between the adsorbate and water molecules for the active sites on the adsorbent surface.

CONCLUSION

The adsorption studies demonstrate that the novel adsorbent (MZHT‐CTAB) is highly effective in removing IBU, presenting a significant removal capacity and feasibility. This promising result contributes to the ongoing search for alternative materials for water treatment. © 2024 Society of Chemical Industry (SCI).
Growth at 2 years corrected age in preterm infants discharged on two different breast milk enhancements: An observational study
Authors: Gehl Brigitta , Feinn Richard , Haines Kathleen , Hussain Naveed , Lainwala Shabnam
Published: August 2024

Objective

Breast milk (BM) enhancement is often used to meet the nutritional needs of preterm infants after hospital discharge to achieve optimal growth. This study compared growth at 18–28 months corrected age (CA) among very preterm (VP) and very low birth weight (VLBW) infants discharged from the neonatal intensive care units (NICUs) on two BM enhancements.

Methods

We conducted a retrospective chart review study of infants born between January 1, 2013 and December 31, 2017, with gestational age < 32 weeks or birthweight < 1500 g, discharged from the NICU on BM enhancements; fortification of BM with infant formula additives (BM‐F) or unfortified BM supplemented with bottle feeds of infant formula (BM‐S). BM enhancements were nonrandomized and determined by the medical team. A linear mixed model regression analysis with propensity score matching was used to estimate the adjusted associations between the nutrition plan at discharge and growth outcomes at 18–28 months CA follow‐up.

Results

Two hundred and fifty‐one VLBW/VP infants were included. Compared with BM‐S, infants discharged on BM‐F were more likely to continue receiving BM at 8–12 months CA, and had lower head circumference, weight‐for‐length z scores, and higher incidence of moderate malnutrition (p ≤ 0.01). After adjusting for confounders, discharge on BM‐F was associated with a lower incidence of overweight/obesity at 18–28 months CA (odds interval: 0.45; confidence interval: 0.21–0.96; p = 0.04).

Conclusions

This retrospective study suggests that VLBW/VP infants discharged on BM‐F received BM longer, had lower growth parameter and were less likely to be overweight/obese at 18–28 months CA. Further studies are needed to evaluate the role of postdischarge nutrition on preterm born children's growth, metabolic disease, and neurodevelopmental outcomes.
Impact of Intra‐Phenotypic Nasal Vestibular Variation on Local Airflow Dynamics
Authors: Sicard Ryan , Russel Sarah , Jang David , Hachem Ralph Abi , Frank‐Ito Dennis O.
Published: August 2024

Objectives

Many individuals with healthy normal nasal anatomy and function exhibit a prominent notch indentation at the junction of the ala and sidewall, specifically around the anterior–superior region of the unilateral nasal vestibule up to the internal nasal valve. This study evaluates the influence of various sizes of notched indentations at the anterior nasal airway on local airflow pattern.

Methods

A retrospective study involving 25 healthy individuals, each exhibiting at least one unilateral notched indentation (40 total airways). Each individual's notched indentation was quantified after subject‐specific three‐dimensional nasal airway reconstruction from radiographic images. Computational fluid dynamics modeling was used to simulate nasal inspiratory airflow in each nasal airway at 15 L/min. Localized airflow distributions passing through the inferior, middle, and superior regions were calculated at 15 cross sections.

Results

Notched indentation size ranged 1.75–86.84 mm2 (average = 22.37 mm2). At the anterior airway, notched size significantly correlated with inferior airflow volume (R = 0.32, p = 0.04) but not in the middle (R = 0.21, p = 0.20) or superior (R = 0.06, p = 0.70) regions, whereas middle and superior regional resistance values were significantly correlated with notched size (middle: R = 0.54, p < 0.001; superior: R = 0.41, p = 0.009). Medially, resistance at the middle region significantly correlated with notched size (R = 0.56, p < 0.001). At the posterior airway, airflow distributions through the inferior, middle, and superior regions demonstrated weak correlation with notched size (inferior: R = 0.24, p = 0.14, middle: R = 0.24, p = 0.13; superior:R = 0.03, p = 0.83), whereas resistance was significantly correlated in the middle and inferior regions (middle: R = 0.56, p < 0.001;inferior: R = 0.43, p = 0.006).

Conclusions

Anterior nasal airway notched indentation size had significantly stronger influence on localized airflow volume through the anterior–inferior airway than other regions of the nasal passage.

Level of Evidence

N/A Laryngoscope, 2024
Reduction of Antibiotic‐Associated Conditions After Tympanostomy Tube Placement in Children
Authors: Chinnadurai Sivakumar , Meyer Cassandra , Roby Brianne , Redmann Andrew , Meyer Abby , Tibesar Robert , Jakubowski Luke , Lander Timothy A. , Finch Michael , Jayawardena Asitha D.L.
Published: August 2024

Objective

Tympanostomy tube placement has been shown to decrease systemic antibiotics usage in patients with recurrent acute otitis media. Systemic antibiotics in children are associated with an increase in antibiotic‐associated conditions (asthma, allergic rhinitis, food allergy, atopic dermatitis, celiac disease, overweight/obesity, attention‐deficit hyperactivity disorder [ADHD], autism, learning disability, and Clostridium difficile colonization) later in life. The objective of this study is to estimate whether tympanostomy tube placement is associated with a reduction in antibiotic‐associated conditions in children with recurrent acute otitis media (RAOM).

Methods

A retrospective cohort review of electronic medical records from 1991 to 2011 at a large pediatric hospital system was performed identifying 27,584 patients under 18 years old with RAOM, defined by 3 or more episodes of AOM. Antibiotic‐associated conditions were defined using ICD‐9 and ICD‐10 codes.

Results

The enrollment population was largely composed of White patients (28.9%), Black patients (30.1%), and Hispanic/Latino patients (16.4%). The number of systemic antibiotics prescribed per encounter was significantly lower in children who pursued tympanostomy tubes (0.14 antibiotics per encounter) versus those who did not (0.23 antibiotics per encounter) (p < 0.001). Patients with RAOM who received tympanostomy tubes were less likely to have diagnoses of overweight/obesity (OR. 0.62 [0.55, 0.68]; p < 0.001), asthma (OR 0.8 [0.74, 0.87]; p < 0.001), allergic rhinitis (OR 0.72 [0.65, 0.81]; p < 0.001), and atopic dermatitis (0.78 [0.71, 0.86]; p < 0.001).

Conclusions and Relevance

Tympanostomy tube placement is associated with less systemic antibiotic administration and a decreased incidence of overweight/obesity, asthma, allergic rhinitis, and atopic dermatitis in children diagnosed with RAOM.

Level of Evidence

4 Laryngoscope, 2024
A Comprehensive Review of the Rheological Properties of Lentil Flour and Starch for Food Applications
Authors: Ahmed Jasim
Published: August 2024

Rheology is the study of flow and its behavior. Unlike powder flow, lentil flour and starch, either individually or in a food formulation, exhibit flow in dispersions, dough, or gel. The presence of a significant amount of starch and protein in lentil flour results in a broad range of rheological properties in dough or dispersion, and the obtained data are useful in many industrial applications, including food, feed, packaging, and pharmaceuticals. During processing, lentil starch dispersions undergo gelatinization and form a gel. Oscillatory rheological measurement can accruately predict the reaction kinetics of lentil starch gelatinization with simultaneous changes in temperature and time. Isothermally heated lentil starch gel advances knowledge by providing information on gel rigidity. The mechanical properties of starch gels can be measured by creep and recovery tests. This review focuses on the rheological properties of lentil flour and starch in dispersions or dough and heat‐ or pressure‐induced lentil gels. The rheological data would help processors select lentil ingredients and their potential applications in product development or additive manufacturing.
Bioactive Hydrogels Inspired by Laminin: An Emerging Biomaterial for Tissue Engineering Applications
Authors: Mohanty Sweta , Roy Sangita
Published: August 2024

Tissue or organ damage due to severe injuries or chronic diseases can adversely affect the quality of life. Current treatments rely on organ or tissue transplantation which has limitations including unavailability of donors, ethical issues, or immune rejection after transplantations. These limitations can be addressed by tissue regeneration which involves the development of bioactive scaffolds closely mimicking the extracellular matrix (ECM). One of the major components of ECM is the laminin protein which supports several tissues associated with important organs. In this direction, peptide‐based hydrogels can effectively mimic the essential characteristics of laminin. While several reports have discussed the structure of laminin, the potential of laminin‐derived peptide hydrogels as effective biomaterial for tissue engineering applications is yet to be discussed. In this context, the current review focuses on the structure of laminin and its role as an essential ECM protein. Further, the potential of short peptide hydrogels in mimicking the crucial properties of laminin is proposed. The review further highlights the significance of bioactive hydrogels inspired by laminin – in addressing numerous tissue engineering applications including angiogenesis, neural, skeletal muscle, liver, and adipose tissue regeneration along with a brief outlook on the future applications of these laminin‐based hydrogels.
Exploring asymmetric dynamics of R&D spending and firm value nexus: Insights from panel autoregressive distributed lag analysis
Authors: Kaur Navjot , Singh Balwinder
Published: August 2024

The present study aims to provide valuable insights into the impact of research and development (R&D) spending on firm value, considering both short‐term and long‐term dynamics while also considering any potential asymmetries in this relationship. This work is conducted using a sample of 185 listed Indian manufacturing firms over a time span of 18 years, that is, from 2006 to 2023. Both symmetric and asymmetric autoregressive distributed lag (ARDL) are employed on a final sample of 3330 firm‐year observations to unravel the intricacies of the aforementioned relationship. Based on the empirical findings from the symmetric ARDL model, it is revealed that R&D spending positively impacts the value of firms in the long run while showing no significant effect in the short run. On the contrary, the results from the asymmetric ARDL model present interesting insights. In the short run, positive (negative) changes in R&D spending appear to reduce (increase) the value of firms. However, in the long run, positive (negative) changes tend to increase (reduce) the value of companies. The key differentiator of the study is the identification of the asymmetrical impact of R&D spending on firm value. The paper argues that while R&D spending does influence firm value, the relationship between them is not inherently symmetrical. In particular, the impact of R&D spending changes from being statistically insignificant when using symmetric ARDL estimation to becoming significant when applying asymmetrical estimation methods. The findings remain largely consistent across different subsamples and alternative measurements of variables.
The freedom space – a new set of commercially available molecules for hit discovery
Authors: Protopopov Mykola V. , Tararina Valentyna V. , Bonachera Fanny , Dzyuba Igor M. , Kapeliukha Anna , Hlotov Serhii , Chuk Oleksii , Marcou Gilles , Klimchuk Olga , Horvath Dragos , Yeghyan Erik , Savych Olena , Tarkhanova Olga O. , Varnek Alexandre , Moroz Yurii S.
Published: August 2024

The advent of high‐performance virtual screening techniques nowadays allows drug designers to explore ultra‐large sets of candidate compounds in search of molecules predicted to have desired properties. However, the success of such an endeavor heavily relies on the pertinence (drug‐likeness and, foremost, chemical feasibility) of these candidates, or otherwise, virtual screening will return valueless “hits”, by the garbage in/garbage out principle. The huge popularity of the judiciously enumerated Enamine REAL Space is clear proof of the strength of this Big Data trend in drug discovery. Here we describe a new dataset of make‐on‐demand compounds called the Freedom space. It follows the principles of Enamine REAL Space and contains highly feasible molecules (synthesis success rate over 75 percent). However, the scaffold and chemography analysis revealed significant differences to both the REAL and biologically annotated compounds from the ChEMBL database. The Freedom Space is a significant extension of the REAL Space and can be utilized for a more comprehensive exploration of the synthetically feasible chemical space in hit finding and hit‐to‐lead campaigns.
Reducing thermal noise in high‐resolution quantitative magnetic resonance imaging rotating frame relaxation mapping of the human brain at 3 T
Authors: Ponticorvo Sara , Canna Antonietta , Moeller Steen , Akcakaya Mehmet , Metzger Gregory J. , Filip Pavel , Eberly Lynn E. , Michaeli Shalom , Mangia Silvia
Published: August 2024

Quantitative maps of rotating frame relaxation (RFR) time constants are sensitive and useful magnetic resonance imaging tools with which to evaluate tissue integrity in vivo. However, to date, only moderate image resolutions of 1.6 x 1.6 x 3.6 mm3 have been used for whole‐brain coverage RFR mapping in humans at 3 T. For more precise morphometrical examinations, higher spatial resolutions are desirable. Towards achieving the long‐term goal of increasing the spatial resolution of RFR mapping without increasing scan times, we explore the use of the recently introduced Transform domain NOise Reduction with DIstribution Corrected principal component analysis (T‐NORDIC) algorithm for thermal noise reduction. RFR acquisitions at 3 T were obtained from eight healthy participants (seven males and one female) aged 52 ± 20 years, including adiabatic T1ρ, T2ρ, and nonadiabatic Relaxation Along a Fictitious Field (RAFF) in the rotating frame of rank n = 4 (RAFF4) with both 1.6 x 1.6 x 3.6 mm3 and 1.25 x 1.25 x 2 mm3 image resolutions. We compared RFR values and their confidence intervals (CIs) obtained from fitting the denoised versus nondenoised images, at both voxel and regional levels separately for each resolution and RFR metric. The comparison of metrics obtained from denoised versus nondenoised images was performed with a two‐sample paired t‐test and statistical significance was set at p less than 0.05 after Bonferroni correction for multiple comparisons. The use of T‐NORDIC on the RFR images prior to the fitting procedure decreases the uncertainty of parameter estimation (lower CIs) at both spatial resolutions. The effect was particularly prominent at high‐spatial resolution for RAFF4. Moreover, T‐NORDIC did not degrade map quality, and it had minimal impact on the RFR values. Denoising RFR images with T‐NORDIC improves parameter estimation while preserving the image quality and accuracy of all RFR maps, ultimately enabling high‐resolution RFR mapping in scan times that are suitable for clinical settings.
Influence of the distance between projectiles in simultaneous multiple impacts on CFRP laminates
Authors: Paredes‐Gordillo Marco A. , Iváñez Inés , García‐Castillo Shirley K.
Published: August 2024

Composite structures in the aerospace and railway industries frequently experience single or multiple low‐ or high‐velocity impacts. The dynamic behavior of composite structures under single impacts cannot be extrapolated to multiple impacts. This study investigates the influence of the distance between projectiles in simultaneous multiple impact scenarios using a finite element model for multiple impacts on carbon fiber‐reinforced polymer (CFRP) laminate plates. The critical distance between projectiles, where stress wave interaction becomes significant, was identified. Results indicate that a distance between the centres of the projectiles of approximately two to three times the projectile diameter is the most damaging for simultaneous multiple impacts.

Highlights

A finite element model for multiple impacts on CFRP laminate plates was developed.

Four different distances between projectiles were evaluated.

The ballistic limit, out‐of‐plane displacements, energy absorption, and related parameters were studied.

A distance of twice the projectile diameter was identified as the most critical.

The distance between projectiles significantly affects the synergistic effects.
Thermal Stability of (Mg/NbOx)82 Multilayer Nanostructure
Authors: Stognei Oleg , Smirnov Andrey , Sitnikov Alexander , Volochaev Mikhail
Published: August 2024

Thermal stability of the multilayer (Mg/NbOx)82 nanostructure and the effect of heat treatment on its electrical properties and phase composition depending on the bilayer thickness are studied. The studied (Mg/NbOx)82 samples contain 82 bilayers whose thickness varies in the range from 2.2 to 6.2 nm. The NbOx layer thickness in the multilayers is the same (0.96 nm) in all samples, while the magnesium layers thickness is varied. It is established that the magnesium layers are either discrete (a set of nanosized particles) or continuous depending on their thickness. A metallothermic reaction occurs in (Mg/NbOx)82 multilayer nanostructures at a temperature of 430 °C: niobium oxide decomposes and the released oxygen partly oxidizes the magnesium layers. That leads to the conductive magnesium metal layers breaking and to the sharp increase of the nanostructures’ resistance by more than two orders. Despite the metallothermic reaction, the layering of the (Mg/NbOx)82 nanostructures as a whole and the presence of unoxidized magnesium inclusions remain even after heating up to 450 °C.
Unprecedented monsoon precipitation over southwest Pakistan in 2022: Regional processes in moistening the climatological heat low
Authors: Annamalai H.
Published: August 2024

During the 2022 Asian summer monsoon, the climatological driest parts of Sindh and Balochistan provinces in southwestern Pakistan and the northern Arabian Sea (regions of climatological heat low, HLOW) experienced unprecedented precipitation (>500% of the normal) whereas precipitation was reduced from the Indo‐Gangetic Plain to the tropical western Pacific. Our working hypothesis is that the weakened large‐scale monsoon is a direct response to tropical sea‐surface temperature: wave responses that develop in response to changes in diabatic heating anomalies over the regional precipitation centers within the Asian monsoon intensify and transition HLOW into an anomalous moist low. To validate the hypothesis, process‐oriented diagnostics are applied to European Centre of Medium‐range Weather Forecasts Reanalysis v5 (ERA5), and numerical experiments are performed with a linear atmospheric general circulation model. Model solutions confirm that the weakened large‐scale monsoon, essentially a linear response, is determined by persistent warm sea‐surface temperature and enhanced precipitation anomalies over the equatorial and southeastern Indian Ocean–Maritime Continent, and Rossby waves emanating from there, and from continental India, deepen the HLOW. Concomitantly, as a Rossby wave response to negative precipitation anomalies over the northern Bay of Bengal and Indochina during June, and their poleward migration during July–August, positive height anomalies develop and intensify over northern India. The resultant horizontal pressure gradient between HLOW and northern India drives concentrated low‐level wind anomalies that are efficient in advecting the strongest climatological moisture gradient to precondition the lower troposphere during June, and in determining the unprecedented precipitation during July–August when the seasonal cycle prevails over HLOW. Model sensitivity to horizontal moisture advection confirms ERA5 diagnostics. Nearly identical tropical forcing and large‐scale weakened monsoon responses are observed during 2010 and 2020. In these years, diagnostics identify subtle changes in latitudinal position of negative precipitation anomalies over the Bay of Bengal and Indo‐Gangetic Plain that lead to lesser contribution by horizontal moisture advection, resulting in weaker positive precipitation anomalies over southwest Pakistan.
Laser Beam Induced Charge Collection for Defect Mapping and Spin State Readout in Diamond
Authors: Reinhardt Dominic , Heupel Julia , Popov Cyril , Wunderlich Ralf
Published: August 2024

The detection of laser‐induced photo‐currents in diamond is shown with about 100 fA resolution in the pico‐ to nanoampere range. A micro‐electronic approach enables to work without using lock‐in techniques. For that purpose, a commercially available and low‐cost precision integrating amplifier is utilized on a home‐built printed circuit board. This technique is applied to three different diamond samples with different defect concentrations. Two ultra‐pure diamond samples with shallow implanted defects, predominantly nitrogen‐vacancy (NV) centers and substitutional nitrogen (P1 centers), are investigated. The third sample is an electron‐irradiated type Ib diamond with a much higher intrinsic defect concentration. For all samples, spatially resolved photo‐current maps as well as laser power and bias voltage‐dependent measurements are recorded. Furthermore, photo‐currents are successfully recorded without an applied bias voltage. Finally, the technique is used to perform continuous wave photoelectric detection of magnetic resonances (PDMR) using NV centers. The presented approach paves the way for time‐resolved photo‐current measurements of individual defects and pulsed PDMR measurements without lock‐in technology.
Single‐Beam Vector Atomic Magnetometer with High Dynamic Range Based on Magnetic Field Modulation
Authors: Chen Junlin , Jiang Liwei , Zhao Xin , Liu Jiali , Chai Yanchao , Tian Mengnan , Lu Zhenglong
Published: August 2024

In geophysical exploration and similar applications, magnetometers need to capture the complete magnetic field information, including both the magnitude and direction. Despite recent advancements in vector atomic magnetometers, they often face issues that hinder practical use. To overcome this, a high dynamic range single‐beam vector atomic magnetometer based on the nonlinear magneto‐optical rotation (NMOR) effect is proposed, utilizing a closed‐loop system with applied three‐axis modulation magnetic fields. In this method, closed‐loop measurement is achieved using a phase‐locked loop (PLL), with the frequencies of the applied modulation magnetic fields being significantly higher than the response bandwidth of the PLL. This allows directional information to be extracted from the modulation fields response signal and magnitude information from the PLL‐locked frequency. A theoretical analysis of the proposed method is conducted by establishing an NMOR atomic magnetometer model under arbitrary magnetic field directions and deriving the method for obtaining the magnetic field direction. In further experimental validation, it is demonstrated that the vector atomic magnetometer can achieve measurement of three‐axis vector magnetic fields, with a sensitivity of approximately for magnetic field magnitude, for inclination angle, and for azimuth angle.
Synthesis, Spectral Analysis and Molecular Docking Investigation of Thiadiazole Based Sulfonamide Derivatives: An Effective Approach Toward Alzheimer's Disease
Authors: Khan Shoaib , Hussain Rafaqat , Khan Yousaf , Iqbal Tayyiaba , Tahir Yameena , Hafeez Abdul , Darwish Hany W. , Adnan Muhammad
Published: August 2024

Alzheimer's disease (AD), a neurodegenerative condition is expected to affect 152 million in 2050. The current study comprises the evaluation of thiazole based thiadiazole bearing sulfonamide derivatives to treat Alzheimer's disease. A series of compounds (1‐15) were synthesized and were studied for their anti‐Alzheimer's potential. Their IC50 values lie in the range between (19.20±0.20 nM–2.50±0.20 nM) for AChE and (19.80±0.20 nM–3.30±0.50 nM) for AChE. Among all of them, analog 2, 7, 9, and 15 were reported to possess significant activity. Among all the members of series, compound 15 having IC50=2.50±0.20 nM and 3.30±0.50 nM for AChE and BuChE, respectively, emerged as the most promising candidate due to the presence of two electronegative fluorine (F) atoms. The small and highly electronegative fluorine atoms have the ability to block the enzyme's activity by forming strong hydrogen bonds with the amino acids of the target enzymes, thereby inhibiting their function. The efficacy of these novel compounds was studied in comparison to the standard drug donepezil having IC50=5.80±0.30 nM for AChE and IC50=6.30±0.81 nM BuChE. For further assessment of inhibition potential and mode of inhibition, molecular docking study of all the potent compounds was carried out. Further, the structural identity of the synthesized compounds was confirmed using various spectroscopic techniques, including 1H‐NMR, 13C‐NMR, and High‐Resolution Electron Impact (HREI) Mass spectrometry, which provided detailed information about their molecular structure. ADME analysis of all the synthesized compounds confirmed their potential as drugs, indicating favorable pharmacokinetic properties and a promising drug profile.
Benzimidazole‐Containing Compounds as Anticancer Agents
Authors: Acar Çevik Ulviye , Işik Ayşen , Kaya Betül , Kapavarapu Ravikumar , Rudrapal Mithun , Halimi Gresa , Karakaya Abdüllatif , Maryam Zahra , Celik İsmail , Evren Asaf Evrim , Ünver Hakan , Rana Bagci Emine , Yildirim Merve , Özkay Yusuf , Kaplancikli Zafer Asım
Published: August 2024

Cancer is the second leading cause of death today and remains a threat to human health. The advent of multi‐drug resistance and adverse effects make the current first‐line anti‐cancer medicines inadequate, despite the fact that numerous efforts have been made in the field of cancer therapy and significant progress has been made in the diagnosis and treatment of cancer. Consequently, the development of novel anticancer drugs with high activity and minimal toxicity is imperative. The benzimidazole ring has attracted the attention of medicinal chemists due to its medicinal and pharmacological properties. The heterocyclic pharmacophore of benzimidazole is a crucial scaffold for developing pharmaceuticals and drugs. In this review, we summarized the recent progress of benzimidazole as a privileged scaffold for the discovery of anti‐cancer agents based on biological targets, such as VEGFR (Vascular Endothelial Growth Factor), PI3 K inhibitors (Phosphoinositide 3‐kinase), EGFR kinase inhibitors (Epidermal Growth Factor Receptor), PARPs (Poly ADP‐ribose polymerases), Tubulin Polymerization, HAT/HDAC (histone acetylase/histone deacetylase), SphK1 (Sphingosine kinase‐1 inhibitors), aromatase, carbonic anhydrase, and topoisomerase inhibitors. The last 5 years of literature have been reviewed and relevant studies have been summarized in this review.
A framework for developing systems engineering management for process plant acquisition projects
Authors: Moodley Denver , Oosthuizen Rudolph
Published: August 2024

South Africa has a history of poor performance on process plant acquisition projects in the process industry that apply chemical processes within large processing facilities to convert raw materials such as crude oil into fuel and by‐products. The most recent failures include the highly publicized Medupi and Kusile projects. This research is based on the acquisition or expansion of large process plants within petrochemical, mining, and energy, typically Systems of Systems integration projects. A significant component of their failings can be attributed to poor systems engineering and systems engineering management capabilities. Acquisition in the context of this study refers to all processes within the stage‐gate project development model from project inception to the beneficial operation of the acquired facility. Due to a lack of systems and tools to guide the development of systems engineers and systems engineering managers within the sector, this research was undertaken to develop an industry‐specific framework based on the INCOSE framework to support development and recruitment processes. A conceptual model derived from a literature survey was validated and improved with qualitative data gathered using structured open‐ended interviews with industry specialists and experts from organizations within the petrochemical, mining, and energy sectors. Insights regarding current recruitment practices and development processes were analyzed to validate the need for a tool and develop an appropriate model for its application. Finally, the analysis and general causes of project failures validated the contents of the framework by highlighting critical competencies and traits required to succeed within the sector.
Navigating the changing trends of Black enrollment
Authors: D’Orio Wayne
Published: August 2024

Quick quiz: What are the five states with the highest percentage increase of Black children from 2010 to 2019? Answer: North Dakota, Hawaii, South Dakota, Wyoming, and Montana.