bluuebunny/crossref_metadata_2025 huggingface dataset:
Challenges in computational discovery of bioactive peptides in ’omics data
Authors: Coelho Luis Pedro , Santos‐Júnior Célio Dias , de la Fuente‐Nunez Cesar
Published: March 2024

Peptides have a plethora of activities in biological systems that can potentially be exploited biotechnologically. Several peptides are used clinically, as well as in industry and agriculture. The increase in available ’omics data has recently provided a large opportunity for mining novel enzymes, biosynthetic gene clusters, and molecules. While these data primarily consist of DNA sequences, other types of data provide important complementary information. Due to their size, the approaches proven successful at discovering novel proteins of canonical size cannot be naïvely applied to the discovery of peptides. Peptides can be encoded directly in the genome as short open reading frames (smORFs), or they can be derived from larger proteins by proteolysis. Both of these peptide classes pose challenges as simple methods for their prediction result in large numbers of false positives. Similarly, functional annotation of larger proteins, traditionally based on sequence similarity to infer orthology and then transferring functions between characterized proteins and uncharacterized ones, cannot be applied for short sequences. The use of these techniques is much more limited and alternative approaches based on machine learning are used instead. Here, we review the limitations of traditional methods as well as the alternative methods that have recently been developed for discovering novel bioactive peptides with a focus on prokaryotic genomes and metagenomes.
Common dyadic coping and its congruence in couples facing breast cancer: The impact on couples' psychological distress
Authors: Liu Wenjia , Lewis Frances Marcus , Oxford Monica , Kantrowitz‐Gordon Ira
Published: March 2024

Objective

Psychological distress is prevalent in couples facing breast cancer. Couples often deal with breast cancer as a unit instead of as individuals. Couple's dyadic coping is important for their adjustment to breast cancer; however, little is known about how couple's coping congruence influences their distress. This study examined how common dyadic coping (CDC) and coping congruence impact psychological distress in couples facing breast cancer.

Methods

Baseline data were analyzed from 343 women with recently diagnosed early‐stage breast cancer and their partners who participated in a randomized clinical trial. Psychological distress was indicated by depressed mood and state anxiety. Common dyadic coping was measured by a self‐report scale. Coping congruence was assessed by the absolute difference between a woman's and her partner's CDC scores.

Results

Higher CDC scores were associated with lower psychological distress in both women and partners. In the CDC subscales, women who suffered less scored higher on open communication, sharing a positive outlook, and lower on avoidance coping. Partners who suffered less scored higher on open communication, sharing a positive outlook, spending time talking, and lower on avoidance coping. Greater congruence in CDC was associated with lower psychological distress in women and their partners. Congruence in sharing a positive outlook benefited both members of the dyad; congruence in avoidance coping significantly benefited patients; congruence in open communication significantly benefited partners.

Conclusions

CDC and its congruence in specific areas have potential benefit to couple's psychological distress when facing breast cancer. Health care providers could consider enhancing couple's CDC and coping congruence to improve their adjustment.
Adoption of unoccupied aerial systems in agricultural research
Authors: Lachowiec Jennifer , Feldman Max J. , Matias Filipe Inacio , LeBauer David , Gregory Alexander
Published: March 2024

A comprehensive survey and subject‐expert interviews conducted among agricultural researchers investigated perceived value and barriers to the adoption of unoccupied aerial systems (UASs) in agricultural research. These systems are often referred to colloquially as drones and are composed of unoccupied/uncrewed/unmanned vehicles and incorporated sensors. This study of UASs involved 154 respondents from 21 countries representing various agricultural sectors. The survey identified three key applications considered most promising for UASs in agriculture: precision agriculture, crop phenotyping/plant breeding, and crop modeling. Over 80% of respondents rated UASs for phenotyping as valuable, with 47.6% considering them very valuable. Among the participants, 41% were already using UAS technology in their research, while 49% expressed interest in future adoption. Current users highly valued UASs for phenotyping, with 63.9% considering them very valuable, compared to 39.4% of potential future users. The study also explored barriers to UAS adoption. The most commonly reported barriers were the “High cost of instruments/devices or software” (46.0%) and the “Lack of knowledge or trained personnel to analyze data” (40.9%). These barriers persisted as top concerns for both current and potential future users. Respondents expressed a desire for detailed step‐by‐step protocols for drone data processing pipelines (34.7%) and in‐person training for personnel (16.5%) as valuable resources for UAS adoption. The research sheds light on the prevailing perceptions and challenges associated with UAS usage in agricultural research, emphasizing the potential of UASs in specific applications and identifying crucial barriers to address for wider adoption in the agricultural sector.
Post‐translational modification sites are present in hydrophilic cavities of alpha‐synuclein, tau, FUS, and TDP‐43 fibrils: A molecular dynamics study
Authors: Kochen Noah Nathan , Seaney Darren , Vasandani Vivek , Murray Marguerite , Braun Anthony R. , Sachs Jonathan N.
Published: March 2024

Hydration plays a crucial role in the refolding of intrinsically disordered proteins into amyloid fibrils; however, the specific interactions between water and protein that may contribute to this process are still unknown. In our previous studies of alpha‐synuclein (aSyn), we have shown that waters confined in fibril cavities are stabilizing features of this pathological fold; and that amino acids that hydrogen bond with these confined waters modulate primary and seeded aggregation. Here, we extend our aSyn molecular dynamics (MD) simulations with three new polymorphs and correlate MD trajectory information with known post‐translational modifications (PTMs) and experimental data. We show that cavity residues are more evolutionarily conserved than non‐cavity residues and are enriched with PTM sites. As expected, the confinement within hydrophilic cavities results in more stably hydrated amino acids. Interestingly, cavity PTM sites display the longest protein‐water hydrogen bond lifetimes, three‐fold greater than non‐PTM cavity sites. Utilizing the deep mutational screen dataset by Newberry et al. and the Thioflavin T aggregation review by Pancoe et al. parsed using a fibril cavity/non‐cavity definition, we show that hydrophobic changes to amino acids in cavities have a larger effect on fitness and aggregation rate than residues outside cavities, supporting our hypothesis that these sites are involved in the inhibition of aSyn toxic fibrillization. Finally, we expand our study to include analysis of fibril structures of tau, FUS, TDP‐43, prion, and hnRNPA1; all of which contained hydrated cavities, with tau, FUS, and TDP‐43 recapitulating our PTM results in aSyn fibril cavities.
A novel mutation in IAA16 is associated with dicamba resistance in Chenopodium album
Authors: Ghanizadeh Hossein , He Lulu , Griffiths Andrew G. , Harrington Kerry C. , Carbone Vincenzo , Wu Haotian , Tian Ke , Bo Han , Xinhui Duan
Published: March 2024

BACKGROUND

Resistance to dicamba in Chenopodium album was first documented over a decade ago, however, the molecular basis of dicamba resistance in this species has not been elucidated. In this research, the resistance mechanism in a dicamba‐resistant C. album phenotype was investigated using a transcriptomics (RNA‐sequence) approach.

RESULTS

The dose–response assay showed that the resistant (R) phenotype was nearly 25‐fold more resistant to dicamba than a susceptible (S) phenotype of C. album. Also, dicamba treatment significantly induced transcription of the known auxin‐responsive genes, Gretchen Hagen 3 (GH3), small auxin‐up RNAs (SAURs), and 1‐aminocyclopropane‐1‐carboxylate synthase (ACS) genes in the susceptible phenotype. Comparing the transcripts of auxin TIR/AFB receptors and auxin/indole‐3‐acetic acid (AUX/IAA) proteins identified from C. album transcriptomic analysis revealed that the R phenotype contained a novel mutation at the first codon of the GWPPV degron motif of IAA16, resulting in an amino acid substitution of glycine (G) with aspartic acid (D). Sequencing the IAA16 gene in other R and S individuals further confirmed that all the R individuals contained the mutation.

CONCLUSION

In this research, we describe the dicamba resistance mechanism in the only case of dicamba‐resistant C. album reported to date. Prior work has shown that the dicamba resistance allele confers significant growth defects to the R phenotype investigated here, suggesting that dicamba‐resistant C. album carrying this novel mutation in the IAA16 gene may not persist at high frequencies upon removal of dicamba application. © 2024 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Guiding Principles for the Design of a Chemical Vapor Deposition Process for Highly Crystalline Transition Metal Dichalcogenides
Authors: Voronenkov Vladislav , Groven Benjamin , Medina Silva Henry , Morin Pierre , De Gendt Stefan
Published: March 2024

2D transition metal dichalcogenides (TMDs) for advanced logic transistor technologies are deposited by various modifications of the chemical vapor deposition (CVD) method using a wide variety of precursors. Being a major electrical performance limiter, the TMD crystal grain size strongly differs between the various CVD precursor chemistries from nano‐ to millimeter‐sized crystals. However, it remains unclear how the CVD precursor chemistry affects the nucleation density and resulting TMD crystal grain size. This work postulates guiding principles to design a CVD process for highly crystalline TMD deposition using a quantitative analytical model benchmarked against the literature. The TMD nucleation density reduces favorably under low supersaturation conditions where the metal precursor sorption on the starting surface is reversible and the corresponding metal precursor desorption rate exceeds the overall deposition rate. Such reversible precursor adsorption guarantees efficient long‐range gas‐phase lateral diffusion of precursor species in addition to short‐range surface diffusion, which vitally increases crystal grain size. The proposed model explains the large spread in experimentally observed TMD nucleation densities and crystal grain sizes for state‐of‐the‐art CVD chemistries. Ultimately, it empowers the reader to interpret and modulate precursor adsorption and diffusion reactions through designing CVD precursor chemistries.
Robust adaptive Kalman filter for structural performance assessment
Authors: Yi Shenglun , Su Tingli , Tang ZhenYun
Published: March 2024

Structural performance assessment is a critical stage in the health monitoring for the maintenance and risk management of engineering structures, in which the interstory drift is a key indicator. In this paper, a robust adaptive Kalman filter is proposed for an interstory drift estimation problem to show the health condition of steel structures in the case that the statistics or internal dynamics describing the signals and measurements are not known precisely. More precisely, we build an adaptive current Jerk model (ACJM) where the model parameters are updated in each time step to presuppose the statistics characterization of the steel dynamic, while the unknown measurement noise covariance is adapted based on a fixed‐lag innovation with respect to measurements. Moreover, a robust adaptive Kalman filter is designed for the modelling uncertainties in each time increment by solving a minimax game: one player tries to select an “actual” model far from the proposed ACJM with an exponential decay tolerance, while its “hostile” player, namely, the optimum filter, is designed by minimizing the estimation error according to the selected “actual” model. Finally, some simulation and experimental results show the effectiveness of the proposed algorithm.
A One‐Pot Synthesized Chemodosimetric Chemosensor for Highly Sensitive Cyanide Ion Detection in Aqueous Media and from Tobacco Smoke
Authors: Umabharathi P. S. , Purushothaman P. , Karpagam S. , Dasgupta Tiashaa , Tamizhselvi Ramaswamy
Published: March 2024

A sustainable future world consistently attributes to the development of eco‐friendly methods and materials for detection and elimination of toxic substances from the environment. While addressing the issues, pyrazole carbonitrile derived Schiff base PYR−TZ has been designed and employed for colorimetric and turn on fluorometric cyanide ion sensing. PYR−TZ demonstrated high cyanide ion (CN−) sensitivity with a 1 : 1 binding stoichiometry in aqueous solution. By preventing intramolecular charge transfer, the PYR−TZ sensor demonstrated excellent selectivity towards CN, which caused a color transition from colorless to yellow and impressive “turn‐on” fluorescence emission. The detection thresholds for CN− are 6.5 nm for absorbance spectra and 0.396 nm emission spectra, respectively. Under typical ecological and physiological settings (pH 1–12), the PYR−TZ sensor can function as an effective chemical sensor for detecting the CN− ions. Additionally, the sensor can find CN in tobacco commercial products like cigarettes and cigars. PYR−TZ is a great cyanide sensor probe that has a number of benefits, which includes simple synthesis, distinct color and emission change, a high degree of selectivity, lesser limit of detection, reversibility, and good anti‐interference ability to analyze solution and tobacco commercial things, together with fluorescence imaging. The theoretical optimized structure and electronic transitions were confirmed by DFT and TDDFT studies. On the basis of theoretical and experimental calculations (DFT), the mechanism of the metal ion complex is postulated.
Cathode Material Designing and Characterization: Co3O4/N‐doped Porous Carbon for Asymmetric Supercapacitors
Authors: Mulik Swapnajit V. , Pandhare Amol B. , Soni Saurabh S. , Dhas Suprimkumar D. , Delekar Sagar D.
Published: March 2024

Mesoporous Co3O4/N‐PC in powder form was synthesized via a wet‐chemical approach, and the resulting material was deposited onto nickel foam as a substrate without the use of a binder. Prior to device fabrication, a thorough analysis of suitable and cost‐effective aqueous alkaline and neutral electrolytes was conducted. Electrolyte optimization was performed using Co3O4/N‐PC/NF electrode with Na2SO4, NaOH, LiOH, and KOH electrolytes. The supercapacitor performance of the binder‐free deposited materials was found to be superior in KOH electrolyte compared to other aqueous electrolytes at equal concentrations. Further optimization of the KOH electrolyte concentration was carried out to achieve the best electrochemical performance for the Co3O4/N‐PC/NF electrode. Electrochemical results demonstrated that the Co3O4/N‐PC/NF electrode performed well in 1 M KOH electrolyte, surpassing its performance at other concentrations. Subsequently, a solid‐state asymmetric device was fabricated, utilizing Co3O4/N‐PC, activated carbon, and a KOH+PVA gel as the cathode, anode, and electrolyte, respectively. The assembled asymmetric Co3O4/N‐PC/NF‐AC/NF device exhibited an energy density of 12.08 Wh kg−1 and a power density of 2500 W kg−1 within a potential window of 1.5 V. Impressively, after nearly 3000 continuous GCD cycles, the device showed negligible initial specific capacitance decay. The device was also successfully tested for powering the LED.
Dioxirane‐Based Stereoselective and Oxidative Transformations
Authors: Neogi Ishita , Parida Keshaba N.
Published: March 2024

The synthesis of chiral organic molecules is a purity‐driven research that has become an essential part of our lives due to their applications in pharmaceuticals. Contemporary research focuses on the exploration of synthetic protocols that obviate the use/generation of hazardous chemicals. In this regard, dioxiranes are readily accessed as a reagent solution or catalyst (in situ) from the reaction of ketone with a co‐oxidant like Oxone® or H2O2; the latter makes the protocol very green and inexpensive. It has shown the potential to replace transition metal‐based oxygenation protocols. The dioxirane‐mediated asymmetric reactions include oxidations, epoxidations, C−H hydroxylations, etc. Both stoichiometric and catalytic protocols of dioxiranes are been explored for the oxyfunctionalization of chiral natural product derivatives such as Penicillin, nucleosides, amino acids, carbohydrates, etc. In addition, these are employed as key oxygenation agents during the synthesis of natural products like (+)‐Plagiogyrin A, Portimine, Taxol, Bryostatin, dafachronic acid, majucinoids, eldecalcitol, Spirochensilide A, etc. The review consolidates the development of both achiral and chiral dioxiranes in application to asymmetric synthesis and oxygenation of chiral molecules.
Structure–Properties Correlations in the Range of Cationic Spiropyrans as Analogues of Cyanine Dyes
Authors: Kozlenko Anastasiia S. , Pugachev Artem D. , Ozhogin Ilya V. , Rostovtseva Irina A. , Makarova Nadezhda I. , Tkachev Valery V. , Utenyshev Andrei N. , Demidov Oleg P. , Borodkin Gennady S. , Aldoshin Sergey M. , Metelitsa Anatoly V.
Published: March 2024

Recently the need for smart materials has been extremely growing, and the development of materials with appropriate characteristics has become one of the main challenges. Heptamethine cyanine dyes are widely used in theranostics and photovoltaics due to their remarkable optical properties. However, they are characterized by “rigid” non–changable properties. The main aim of the current study is to unveil correlation between structure and optical properties in the range of vinyl‐3H‐indolium substituted spiropyrans, which can be considered as the closest analogs of heptamethine cyanines with the photocontrolable optical and fluorescent properties. The effects of substitution in indoline and 2H‐chromene cycles, as well as anion change are under the study. To achieve this goal, a series of spiropyran iodides and perchlorates with methyl, methoxy substituents or fluorine atom in position 6′, as well as a conjugated vinyl‐3H‐indolium fragment in position 8′, were synthesized. The structure of the compounds was carefully studied using SC XRD, NMR, IR and mass spectroscopy. Then, studies on absorption and photoluminescence characteristics, as well as photochromic behavior were carried out.
Design, Synthesis, Cytotoxic Evaluation, and Molecular Docking of New Alkyl Triphenylphosphonium Curcumin Derivatives
Authors: Hoang Dang Phu , Hoai Tran Tu , Huu Le Tho , Thi Nguyen Thu‐Ha , Binh Vong Long , Thanh Thi Nguyen Mai , Trung Nguyen Nhan
Published: March 2024

Despite the previous anticancer effects of curcumin against various cancer cell lines, in vitro, pre–clinical, and clinical studies have faced constraints, particularly at high doses. Therefore, the mitochondria–targeted approach represents a promising trend in cancer drug development. This study successfully synthesized three new alkyl triphenylphosphonium ester curcumin derivatives (1–3) with good yield. They demonstrated cytotoxicity against MCF‐7 cells with IC50 values of 49.72, 62.57, and 91.73 μM, respectively. These values indicated higher potency than free curcumin (IC50>100 μM). Molecular docking studies of curcumin and three derivatives 1–3 with two estrogen receptor α (ERα) ligand binding domains, 3ERT (antagonist recognition and antiproliferative function), and 1GWR (agonist recognition and pro–proliferative function), were carried out. These domains are important targets in hormone–dependent anticancer strategies. The favourable docking scores and key residue interactions suggested that these derivatives could be the potential antagonists. Three synthesized alkyl–TPP+ curcumin ester derivatives (1–3) demonstrated more potent cytotoxic efficacy than curcumin, particularly against the human MCF‐7 breast cancer cell line. In addition, molecular docking studies suggested their potential as antagonists of ERα. The in silico ADMET data of three derivatives (1–3) showed compliance with the Lipinski rule and demonstrated their absorption, distribution, metabolism, and excretion properties.
Examining the trajectory of meaning violation and its bidirectional relationship with perceived posttraumatic growth
Authors: Yang Tongping , Bi Chongzeng
Published: March 2024

Despite extensive theoretical discussions on the dynamic process of meaning violation (MV) and restoration, empirical research on this topic remained lacking. This study aimed to explore the trajectory of MV and the bi‐directionality between MV and perceived posttraumatic growth (PPTG). This study employed a 3‐wave longitudinal design spanning over 3 months, and a sample of participants from China who experienced any distressing event within the past 3 months was considered eligible. Participants (N = 215; aged 18–38 years old) were instructed to assess MV and PPTG regarding a chosen event. A latent growth model was used to examine changes in MV over time and a random intercept cross‐lagged panel model was used to analyze bidirectional associations between MV and PPTG. Results revealed that, at the within‐person level, MV at T1 negatively predicted PPTG at T2, while PPTG at T2 negatively predicted MV at T3. These results indicate that the sense of MV may have impeded PPTG in the initial stages, whereas PPTG might serve as a predictor for diminished MV at later stages. At the between‐person level, a positive relationship between these two constructs was observed, suggesting that individuals who experienced higher levels of MV, in general, also tended to report greater PPTG. These findings reflect the complex and dynamic nature of meaning reconstruction processes and provide empirical evidence for the meaning‐making model.
2D Conductive Metal‐Organic Frameworks Based on Tetraoxa[8]circulenes as Promising Cathode for Aqueous Zinc Ion Batteries
Authors: Chang Zixin , Zhu Mengsu , Li Ze , Wu Sha , Yin Siping , Sun Yimeng , Xu Wei
Published: March 2024

Aqueous zinc‐ion batteries (ZIBs) are the new generation electrochemical energy storage systems. Recently, two‐dimensional conductive metal‐organic frameworks (2D c‐MOFs) are attractive to serve as cathode materials of ZIBs due to their compositional diversity, abundant active sites, and excellent conductivity. Despite the growing interest in 2D c‐MOFs, their application prospects are still to be explored. Herein, a tetraoxa[8]circulene (TOC) derivative with unique electronic structure and interesting redox‐active property are synthesized to construct c‐MOFs. A series of novel 2D c‐MOFs (Cu‐TOC, Zn‐TOC and Mn‐TOC) with different conductivities and packing modes are obtained by combining the linker tetraoxa[8]circulenes‐2,3,5,6,8,9,11,12‐octaol (8OH‐TOC) and corresponding metal ions. Three c‐MOFs all exhibit typical semiconducting properties, and Cu‐TOC exhibits the highest electrical conductivity of 0.2 S cm−1 among them. Furthermore, their electrochemical performance as cathode materials for ZIBs have been investigated. They all performed high reversible capacity, decent cycle stability and excellent rate capability. This work reveals the key insights into the electrochemical application potential of 2D c‐MOFs and advances their development as cathode materials in ZIBs.
Improved Charge Carrier Transport Across Grain Boundaries in N‐type PbSe by Dopant Segregation
Authors: Zhang Huaide , Shen Minghao , Stenz Christian , Teichrib Christian , Wu Riga , Schäfer Lisa , Lin Nan , Zhou Yiming , Zhou Chongjian , Cojocaru‐Mirédin Oana , Wuttig Matthias , Yu Yuan
Published: March 2024

Doping is an important and routine method to tune the properties of semiconductors. Dopants accumulated at grain boundaries (GBs) can exert a profound influence on microstructures and transport properties of heat and charge. To unravel the effect of dopant accumulation at GBs on the scattering of electrons, individual high‐angle GBs in three PbSe samples doped with different amounts of Cu using a home‐designed correlative characterization platform combining electron backscatter diffraction, microcircuit transport property measurements, and atom probe tomography are studied. The findings reveal that the segregation of Cu dopants to GBs reduces the GB potential barrier height. Once the GB phase reaches an equilibrium with saturated Cu, the extra Cu dopants distribute homogeneously inside the grains, compensating for vacancies and improving the electrical conductivity of the PbSe grains. The results correlate the Cu distribution at GBs and grains with local electrical properties, enlightening strategies for manipulating advanced functional materials by GB segregation engineering.
A Facile NMR Method for Pre‐MRI Evaluation of Trigger‐Responsive T1 Contrast Enhancement
Authors: Jian Cheng‐Bang , Wu Ying‐Yann , Lin Ming‐Huang , Gao Hua‐De , Chen Chong‐Yan , Leong Shwee Khuan , Tzou Der‐Lii M. , Hwang Dennis W. , Lee Hsien‐Ming
Published: March 2024

There is a growing interest in developing paramagnetic nanoparticles as responsive magnetic resonance imaging (MRI) contrast agents, which feature switchable T1 image contrast of water protons upon biochemical cues for better discerning diseases. However, performing an MRI is pragmatically limited by its cost and availability. Hence, a facile, routine method for measuring the T1 contrast is highly desired in early‐stage development. This work presents a single‐point inversion recovery (IR) nuclear magnetic resonance (NMR) method that can rapidly evaluate T1 contrast change by employing a single, optimized IR pulse sequence that minimizes water signal for “off‐state” nanoparticles and allows for sensitively measuring the signal change with “switch‐on” T1 contrast. Using peptide‐induced liposomal gadopentetic acid (Gd3+‐DTPA) release and redox‐sensitive manganese oxide (MnO2) nanoparticles as a demonstration of generality, this method successfully evaluates the T1 shortening of water protons caused by liposomal Gd3+‐DTPA release and Mn2+ formation from MnO2 reduction. Furthermore, the NMR measurement is highly correlated to T1‐weighted MRI scans, suggesting its feasibility to predict the MRI results at the same field strength. This NMR method can be a low‐cost, time‐saving alternative for pre‐MRI evaluation for a diversity of responsive T1 contrast systems.
Profiling and characterization of the constituents of taibai ginseng using ultra‐high performance liquid chromatography‐quadrupole time of flight mass spectrometry
Authors: Gao Xin , Sun Wenjun , Wang Yaxuan , Li Xiaohui , Liu Xia , Li Yunzhe , Niu Xiaofeng
Published: March 2024

Taibai ginseng (roots of Pedicularis decora Franch.) has been reported to possess anti‐Alzheimer's disease (anti‐AD) activity and can be potentially used for treating AD. However, the chemical constituents of taibai ginseng have not yet been elucidated because of the paucity of relevant studies, which hinders further research on the pharmacological mechanism and utilization of taibai ginseng. In this study, a rapid and efficient method for comprehensively analyzing the chemical constituents of taibai ginseng was established for the first time. We used ultra‐high performance liquid chromatography‐quadrupole time of flight mass spectrometry in combination with the UNIFI data‐processing platform to automatically characterize and identify the chemical profile of taibai ginseng. As a result, more than 76 compounds were detected, and their structures were characterized. These compounds include 24 iridoid glycosides, 24 phenylethanol glycosides, 15 terpenoids, and 13 other components. More than fifty of these compounds from taibai ginseng were reported for the first time. Our results provide a reference for the quality control of taibai ginseng and establish a higher quality standard for pharmacodynamic research. Appropriate modification of the method reported herein can enable its use for the screening and characterization of taibai ginseng and other compounds from the Pedicularis genus.
Enhancing Incipient Fault Detection for Interface Converter Sensors through Signal Correlation Analysis
Authors: Guo Chujia , Yang Qingqing
Published: March 2024

Incipient faults in interface converters can potentially lead to catastrophic failures. Detection of incipient faults contributes to proactive fault management and predictive maintenance, which effectively improves system reliability. In this paper, a detection method in correlation space is proposed to address this problem, which is based on the inherent feature of correlation changes when a fault occurs. First, a convolution process is used to weaken noise and highlight the correlation feature. Second, the current signals are transmitted to correlation space by using the Pearson correlation coefficient. Third, an accumulation and a reference compensation method are designed for enhancing the features and equalizing influence of reference adjustment. Finally, a fault detection rule is designed based on correlation features and fault excitation. Experiments on a hardware‐in‐loop(HIL) semi‐physical platform indicate that the proposed method outperforms three commonly used correlation analysis algorithms. © 2024 Institute of Electrical Engineer of Japan and Wiley Periodicals LLC.
HAPOVER: A Haptic Pronunciation Improver Device
Authors: Ilhan Rıza , Kaçanoğlu Kadir
Published: March 2024

This research article describes the HAPOVER (a haptic pronunciation improver device), which was produced to help second language learners' pronunciation skills as part of their foreign language learning process. The device comprises eight independent vibration motors connected to the fingers other than the thumb. The developed tactile feedback device was utilized to enhance pronunciation via speech processing and using vibration motor. The acoustic difference between the reference and the participant's recorded pronunciation signal was calculated with the help of Mel Frequency Cepstral Coefficients (MFCC) and Dynamic Time Warping (DTW) and converted into haptic codes that guide the speaker. The article describes the haptic codes' features and the creation method thereof. The device was tested by psychophysical evaluation. The results indicate an 80.74% improvement in word pronunciation with haptic guidance post training. Therefore, the results corroborate that word pronunciation data can be transmitted via tactile codes. © 2024 Institute of Electrical Engineer of Japan and Wiley Periodicals LLC.
Histology and immunofluorescent study of the pancreas in lovebird (Agapornis personatus)
Authors: Goodarzi Nader , Bashiri Ayda
Published: March 2024

Background

Lovebird (Agapornis personatus) is a monotypic species of bird of the lovebird genus in the parrot family Psittaculidae and order Psittaciformes.

Objectives

The present study was designed to investigate the histology and immunohistochemistry of the pancreas in the lovebird.

Methods

Totally, three adult birds were used. The pancreas was assessed using histological and immunofluorescent staining to detect insulin, glucagon, somatostatin, pancreatic polypeptide (PP) and neuropeptide Y (NY).

Results

The exocrine pancreas was composed of pyramidal acinar cells with zymogen granules at the apical cytoplasm. The endocrine pancreas was identified as large alpha, small beta and mixed islets of Langerhans. No intercalated duct was observed. Alpha cells with a density of 28.55% were the most numerous cell type, which were populated throughout the large islets, especially at the periphery. The beta cells with a density of 15.78% were accumulated mostly at the periphery of islets. The delta cells exhibited 17.81% intensity. Despite their lower density, the distribution of delta cells was like that of A cells throughout the islets. PP and NY cells were distinguished with densities of 14.69% and 20.63%, respectively.

Conclusions

Although the arrangement of acinar cells, ductal systems and endocrine islets reflects patterns observed in various avian species, the absence of intercalated duct, the presence of three types of Langerhans islets as alpha, beta and mixed islets and the high expression of NY in the islets were some unique features observed in the current study. These findings contribute to the broader understanding of avian pancreas histology.
Rescue and rehabilitation of maned wolf (Chrysocyon brachyurus) in Paraguay: Case description
Authors: Vetter Hiebert Joerg Richard , Petters Cabrera José Gaspar , Benítez del Puerto Santhiago , González Vatteone Roger , Florentín Morel Marlene , Dacak Aguilera Diego Augusto , Brítez Valinotti César Esteban , Ramírez Diarte Raquel , González González Lilian Maria , Coronel Díaz Carlos , Osorio Paola , Cardozo Walter , Bracho Fátima , Soto Claudia Raquel , Domínguez Barreto Nilsa Melissa , Sciabarrasi Antonio Alejandro
Published: March 2024

The maned wolf, Chrysocyon brachyurus, is the largest South American canid, with a natural distribution that stretches across Peru, Bolivia, Brazil, Argentina, Paraguay and Uruguay. The present study reports the case of a rescued specimen of maned wolf that underwent a rehabilitation process in Paraguay, starting in October 2020 with its rescue, and finalising in May 2021 with the reintroduction. Herein, we document findings regarding the general management, biometrics, feeding and environmental enrichment; chemical immobilisation and monitoring; haematology, blood biochemistry and specific serology‐relevant pathogens; skin examination and bone marrow cytology; orthopaedic, ophthalmological and dental evaluation; abdominal and cardiac ultrasonography; radiology and copro‐parasitology. Main findings include the feeding habits of the individual and enrichment opportunities. The animal weighed 7 kg on arrival, with an estimated age of 5 months, and 18 kg on reintroduction, with an estimated age of 1 year. The animal tested negative to serologic tests for Brucella canis, Dirofilaria, canine distemper, Toxoplasmosis and canine parvovirus. Leptospira testing showed antibodies against L. grippotyphosa on both samplings, L. wolffi and L. ictero on the first sampling, and L. pomona on the second sampling. Abdominal organs were examined and measured through ultrasound evaluation and kidneys showed no alterations. Echocardiography showed preserved mitral, tricuspid and aortic valve flows, but turbulent pulmonary valve flow. Copro‐parasitology reported the presence of Lagochilascaris sp. and Balantidium sp. All the information gathered aided in diagnosing the health status of the individual, and the response to environmental enrichment helped assess the behaviour, which led to the suggestion of reintroducing the animal. These data constitute the first published health check of a maned wolf in Paraguay, which can contribute to the species’ conservation in the country. The protocol presented in this study can serve as a basis for developing an action plan for the maned wolf in Paraguay.
Causality and causal inference for engineers: Beyond correlation, regression, prediction and artificial intelligence
Authors: Naser M. Z.
Published: March 2024

In order to engineer new materials, structures, systems, and processes that address persistent challenges, engineers seek to tie causes to effects and understand the effects of causes. Such a pursuit requires a causal investigation to uncover the underlying structure of the data generating process (DGP) governing phenomena. A causal approach derives causal models that engineers can adopt to infer the effects of interventions (and explore possible counterfactuals). Yet, and for the most part, we continue to design experiments in the hope of empirically observing engineered intervention(s). Such experiments are idealized, complex, and costly and hence are narrow in scope. On the contrary, a causal investigation will allow us to peek into the how and why of a DGP and provide us with the essential means to articulate a causal model that accurately describes the phenomenon on hand and better predicts the outcome of possible interventions. Adopting a causal approach in engineering is perhaps more warranted than ever—especially with the rise of big data and the adoption of artificial intelligence (AI); wherein AI models are naivety presumed to describe causal ties. To bridge such knowledge gap, this primer presents fundamental principles behind causal discovery, causal inference, and counterfactuals from an engineering perspective and contrasts that to those pertaining to correlation, regression, and AI.

This article is categorized under:

Application Areas > Industry Specific Applications

Algorithmic Development > Causality Discovery

Application Areas > Science and Technology

Technologies > Machine Learning
Enhanced Recovery after Surgery recommendations that most impact patient care: A multi‐institutional, multidiscipline analysis in the United States
Authors: Cochran Allyson R. , Shaw George , Shue‐McGuffin Katherine , Elias Kevin , Vrochides Dionisios
Published: March 2024

Background

Compliance to the entire Enhanced Recovery after Surgery (ERAS) protocol improves surgical recovery, where higher compliance improves outcomes. However, specific items may predict improved recovery more than others. Studies have evaluated the impact of individual ERAS recommendations though they are either single center, not based in the United States (US), or focus on colorectal procedures only. This study aims to evaluate compliance on surgical outcomes in two large healthcare systems in the US across four surgery types.

Methods

Compliance to individual recommendations, limited patient characteristics, and outcomes data from two US ERAS Centers of Excellence (CoE) for hepatectomy, pancreatectomy, radical cystectomy, and head and neck (HN) resections were evaluated. Outcomes included 30‐day Clavien–Dindo≥3, readmission, mortality, and length of stay (LOS). Multivariate regressions were performed as appropriate for the data for each surgery type. Clavien≥3 was included to control for severity of complications, and the CoE variable was force‐retained.

Results

A total of 2886 records were analyzed. Controlling for CoE and severity of patient complications, early removal of Foley catheter was associated with significant reductions in LOS in the liver, pancreas, and HN procedures and reductions in complications in the liver and pancreas. Limited use of NG tubes reduced LOS in the pancreas and complications in urology. Oral carbohydrate loading reduced LOS in the pancreas, and patient education reduced mortality in HN patients.

Conclusions

This study reports the effect of ERAS compliance on outcomes, by surgery type, in a multi‐institutional US setting. Future studies should validate these findings and consider surgery‐specific predictive models comprised of individual ERAS recommendations in real‐world applications.
Remarks on some unidirectional flows of Maxwell fluids through a rectangular channel filled with porous medium
Authors: Fetecau Constantin , Mirza Itrat Abbas , Vieru Dumitru , Shah Nehad Ali
Published: March 2024

Exact solutions for the dynamics of incompressible fluids showing rate‐type behavior have mostly been found in circumstances where the boundary velocities are given in the body of existing research. This phenomenon results from the constitutive equation of the corresponding extra‐stress tensor, which specifies the natural relationship between velocity and shear stress. In this paper, we focus on a unique observation of the magnetohydrodynamic (MHD) movements of incompressible Maxwell fluids, and the governing equations regulating velocity and shear stress. We focus our analysis on the case of an infinite plate submerged in a porous substance. Within this framework, we do an analytical analysis of a motion issue with a boundary that has a predetermined shear stress. We can easily ascertain the shear stress associated with the motion brought on by a flat plate in order to be more exact. The fluid is subjected to a shear stress by this plate that changes over time. The velocity field from a boundary motion with a predetermined velocity is used to achieve this. We give two graphical representations of individual solutions for the sake of clarity and result verification. Last but not least, we use graphical depiction to highlight how a magnetic field and a porous media affect the fluid's flow resistance. The results show that the flow resistance of the fluid increases in the presence of a porous media and decreases when a magnetic field is present.
Pre-equilibrium photons from the early stages of heavy-ion collisions
Authors: Garcia-Montero Oscar , Mazeliauskas Aleksas , Plaschke Philip , Schlichting Sören
Published: March 2024

Abstract

We use QCD kinetic theory to compute photon production in the chemically equilibrating Quark-Gluon Plasma created in the early stages of high-energy heavy-ion collisions. We do a detailed comparison of pre-equilibrium photon rates to the thermal photon production. We show that the photon spectrum radiated from a hydrodynamic attractor evolution satisfies a simple scaling form in terms of the specific shear viscosity η/s and entropy density dS/dζ ∼ (Tτ1/3)3/2∞. We confirm the analytical predictions with numerical kinetic theory simulations. We use the extracted scaling function to compute the pre-equilibrium photon contribution in $$ \sqrt{s_{NN}} $$

s
NN

= 2.76 TeV 0–20% PbPb collisions. We demonstrate that our matching procedure allows for a smooth switching from pre-equilibrium kinetic to thermal hydrodynamic photon production. Finally, our publicly available implementation can be straightforwardly added to existing heavy ion models.
Binary discrimination through next-to-leading order
Authors: Larkoski Andrew J.
Published: March 2024

Abstract

Binary discrimination between well-defined signal and background datasets is a problem of fundamental importance in particle physics. With detailed event simulation and the advent of extensive deep learning tools, identification of the likelihood ratio has typically been reserved as a computational problem. However, this approach can obscure overtraining or excessive sensitivity to tuned features of the simulation that may not be well-defined theoretically. Here, we present the first analysis of binary discrimination for signal and background distributions for which their likelihood ratio is infrared and collinear safe, and can therefore be calculated order-by-order in perturbation theory. We present explicit, general formulas for receiver operator characteristic curves and the area under it through next-to-leading order. These results can then establish absolute upper bounds on discrimination performance because any realistic implementation will have measurement errors, undetected particles, or restrictions on fiducial phase space. As a demonstration of this formalism, we apply it to discrimination of highly-boosted Higgs decays from gluon splitting to bottom quarks. Effects at next-to-leading order are first sensitive to the flow of color in the jet and significantly modify discrimination performance at leading-order. In the limit of infinite boost, these events can be perfectly discriminated because only the gluon will radiate at finite angles from the bottom quarks, and we find that large effects persist at energies accessible at the Large Hadron Collider. Next-to-leading order is therefore required to qualitatively understand results using machine-learning methods.
From amplitudes to analytic wavefunctions
Authors: Lee Mang Hei Gordon
Published: March 2024

Abstract

The field-theoretic wavefunction has received renewed attention with the goal of better understanding observables at the boundary of de Sitter spacetime and studying the interior of Minkowski or general FLRW spacetime. Understanding the analytic structure of the wavefunction potentially allows us to establish bounds on physical observables. In this paper we develop an “amplitude representation” for the flat space wavefunction, which allow us to write the flat space wavefunction as an amplitude-like Feynman integral integrated over an energy-fixing kernel. With this representation it is possible to separate the wavefunction into an amplitude part and a subleading part which is less divergent as the total energy goes to zero. In turn the singularities of the wavefunction can be classified into two sets: amplitude-type singularities, which can be mapped to singularities found in amplitudes (including anomalous thresholds), and wavefunction-type singularities, which are unique to the wavefunction. As an example we study several tree level and one loop diagrams for scalars, and explore their singularities in detail.
Generalized Partial-Slice Monogenic Functions: A Synthesis of Two Function Theories
Authors: Xu Zhenghua , Sabadini Irene
Published: March 2024

In this paper, we review the notion of generalized partial-slice monogenic functions that was introduced by the authors in Xu and Sabadini (Generalized partial-slice monogenic functions,arXiv:2309.03698, 2023). The class of these functions includes both the theory of monogenic functions and of slice monogenic functions over Clifford algebras and it is obtained via a synthesis operator which combines a generalized Cauchy–Riemann operator with an operator acting on slices. Besides recalling the fundamental features, we provide a notion of$$*$$∗-product based on the CK-extension and discuss the smoothness of generalized partial-slice functions.
Chemometric Optimization of SPE for the Determination of Multiclass Pesticides in Portable Water Samples by UHPLC-MS/MS
Authors: Drimaropoulou Garyfallia , Christophoridis Christophoros , Zacharis Constantinos K. , Fytianos Konstantinos
Published: March 2024

This study aimed on the development of a SPE-UHPLC-MS/MS method for the simultaneous determination of pesticide residues in drinking water samples. A chemometric approach was applied to optimize the efficiency of the SPE pretreatment procedure. This study involved (i) the application of a Full Factorial Design for the screening of the significant factors, (ii) the application of a Central Composite Design for the determination of the optimal conditions and (iii) the evaluation and validation of the significance of the statistically proposed models. Oasis HLB cartridges were used for the extraction. The optimum sample volume was 300 mL and the elution solvent 3 mL of the mixture of methanol:ethylacetate 70:30 v/v. The method was validated according to the international guidelines. Recoveries were ranged from 63 to 116% and the detection limits were between 0.1 and 1.5 pg mL− 1. The validated method could be used in routine analysis for pesticides screening.