bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modeling the effect of daughter migration on dosimetry estimates for unlabeled actinium‐225
Authors: Tronchin Stephen , Forster Jake , Hickson Kevin , Bezak Eva 
Published: January 2024

AbstractBackgroundActinium‐225 (225Ac) is an alpha emitting radionuclide which has demonstrated promising results in Targeted Alpha Therapy (TAT). A concern with 225Ac is that the decay energy can break the bond to the targeting vehicle, resulting in the release of free alpha‐emitting daughter radionuclides in the body.PurposeThe aim of this work is to develop a compartment model to describe the movement of unlabeled 225Ac in a human where the daughter isotopes of 225Ac have unique biokinetics.MethodThe ICRP Occupational Intake of Radionuclides reports were used to construct a compartment model for the 225Ac decay chain where the daughter isotopes of 225Ac are assigned their own unique transfer coefficients (TCs) between compartments. Computer simulations were performed for unlabeled 225Ac uniformly placed in the plasma and only the dose from alpha particles was considered. Absorbed doses to normal organs were determined for the liver, kidneys, bone, soft tissue, active marrow, and blood. Simulations were performed for the case when: (1) the daughters have unique biokinetics and (2) the daughters decay at the site of 225Ac.ResultsWhen the daughters have unique biokinetics, the organs that receive the highest absorbed dose are the liver (male: 1466.6 mGy/MBq, female: 1885.7 mGy/MBq), bone (male: 293.6 mGy/MBq, female: 403.6 mGy/MBq) and kidneys (male: 260.8 mGy/MBq, female: 294.0 mGy/MBq). These doses were compared to the case when the daughters of 225Ac decay at the site of 225Ac. There was a 13.5% increase in kidney dose, a 0.8% decrease in liver dose, and <0.1% decrease in bone dose calculations when the daughters have unique biokinetics compared to assuming the daughters decay at the site of 225Ac.ConclusionsThe kidneys received a large dose estimate (260‐295 mGy/MBq) as well as a considerable change in dose of +13.5% when the daughters have unique biokinetics compared to assuming the daughters decay at the site of 225Ac. Therefore, to accurately determine the kidney dose from unlabeled 225Ac in a human, the biokinetics of the daughter isotopes should be considered.
Graft‐crosslinked graphene oxide nanofiltration membrane with pH‐responsive nanochannels
Authors: Wang Yangyang , Yan Hongding , Ma Mengxu , Zhou Chenkai , Hou Qian , Xu Zehong , Xia Min , Ni Huagang , Jia Yanrong , Ye Peng 
Published: January 2024

AbstractElectrostatic effect and Donnan effect could effectively improve the separation performance of nanofiltration membrane. Polyions were grafted from graphene oxide (GO) nanosheets to prepare the nanofiltration membrane, and the electrostatic effect and Donnan effect in the membrane pores could be greatly improved. The GO was modified by introducing double bonds. Then, polyanionic poly(acrylic acid) (PAA) and polycationic diallyldimethylammonium chloride (PDDA) were grafted from GO nanosheets, which were employed to fabricate the nanofiltration membranes, respectively. Therefore, nanofiltration membranes GO‐PAA and GO‐PDDA with cross‐linked structure and pH responsiveness were prepared. The separation effect of the anionic dyes was over 99%, and the membrane had perfect adsorption effect on cationic dyes. The cross‐linked structure formed between GO nanosheets inhibited the change of the interlayer spacing of the nanofiltration membrane. The conformation of the graft chains could be adjusted by the pH value of the solution, by adjusting the size of the nanochannel. The rejection rates of the nanofiltration membranes for the cationic dyes could reach more than 98%, and the membrane had perfect adsorption effect on anionic dyes. Similar to the grafted polyanion, the grafted polycation also formed a cross‐linked structure between the graphene nanosheets, thereby inhibiting the change of the nanochannels with the pH value to a certain extent. Polyionic nanofiltration membranes have excellent selectivity and could be widely used in the treatment of dye wastewater and other fields.
Comparison of different flame‐retardant agents for polylactic acid/fiber composites by a film‐stacking method: Flame‐retardant performance and mechanical properties
Authors: Zheng Ran , Chen Yajun , Cai Qixuan , Qian Lijun 
Published: January 2024

AbstractIn this investigation, characterization and comparison of the flame retardant performance were conducted for polylactic acid (PLA)/fiber composites featuring the incorporation of different flame retardants (APP, PAPP, and DMH). Based on the results obtained from the Limiting Oxygen Index (LOI) test and cone calorimeter test, it is evident that the intumescent flame retardants (IFR) such as APP and PAPP exhibit better efficacy on improving flame retardancy than DMH. The LOI value of the APP/PLA/F and PAPP/PLA/F composite reaches 35.5% and 27.4%, higher than that of DMH/PLA/F (23.0%). The pk‐HRR of APP/PLA/F and PAPP/PLA/F decreases 27% and 39% compared with PLA/F while the char residue at 500°C was higher than that of DMH/PLA/F (0.3 wt%) with the value of 51.4 and 44.1 wt%. It should be mentioned that the impact strength and tensile strength of PLA/fiber composite incorporating APP surpasses that of PAPP/PLA/F, which is caused by good dispersibility of fabrics among the PLA matrix, coupled with the strengthened interfacial adhesion between the fibers and the polylactic acid matrix. In summary, APP/PLA/F shows the most overall performance.Highlights
Properties of PLA/fiber composites with various fire retardants were compared.
APP/PLA/F obtained the best overall property while DMH/PLA/F had the worst.
APP endows composites with excellent flame retardancy and mechanical property.
The LOI value of APP/PLA/F was 35.3%, highest among four composites.
Adding APP to PLA/F led to an increase in tensile strength and impact strength.
Synthesis and characterization of PEG/CS‐AgNO3 polymer nanocomposites for flexible optoelectronic and energy storage applications
Authors: Alsalmah Hessa A. , Rajeh A. , Farea M. O. , Nur Omer 
Published: January 2024

AbstractThe Polyethylene glycol (PEG) and Chitosan (CS)/silver nitrate (AgNO3) thin films were prepared by utilizing the casting technique to enhance their optical, dielectric, and electrical properties. Their physicochemical characteristics were investigated using a variety of techniques. The FT‐IR study demonstrates that the addition of AgNO3 NPs results in a discernible difference in the intensities and locations of vibrational peaks of all bands, supporting the incorporation of AgNO3NPs inside the PEG/CS. The XRD analysis indicates that the peak at 2θ = 23.1° broadens and strengthens proportionally with the increase of AgNO3 NPs. This observation suggests that the incorporation of AgNO3 NPs into PEG/CS results in a greater degree of amorphous characteristics compared to the PEG/CS blend. Additionally, when the amount of AgNO3 NPs increases in the PEG/CS, the energy band gap decreases, resulting in the creation of localized states between the valence and conduction bands. These polymer nanocomposite films' electrical conductivity, dielectric constant, and dielectric loss all increased with frequency increased and showed variance for various composite concentrations. These AgNO3NPs/PEG/CS films can be promising options for frequency‐tunable nanodielectrics, flexible dielectric substrates, and bandgap‐regulated materials for upcoming microelectronic, capacitive energy storage, and optoelectronic technologies, according to the experimental results.Highlights
AgNO3NPs/PEG/CS nanocomposites films were obtained.
The optical properties of the prepared films were calculated.
Optical energy‐gap for prepared samples was reduced after adding AgNO3NPs.
The dielectric properties of the AgNO3NPs/PEG/CS films are improved.
AgNO3NPs/PEG/CS films were suggested to be used in energy storage devices.
Computational modeling and simulation of temperature field evolution during the chemical foaming of epoxy foams
Authors: Ding Yanyu , Qi Chaoqun , Chen Qifeng , Ge Heyi , Ren Baosheng , Liu Rui , Wang Guilong , Jia Yuxi 
Published: January 2024

AbstractThe evolution and control of the temperature field during the chemical foaming of epoxy resin are of paramount importance because the foam structure results from the competition of resin crosslinking and foaming, both of which are highly dependent on temperature distributions. Herein, the epoxy foams, consisting of diglycidyl ether of bisphenol A, glycidyl amine‐type epoxy resin, and 4,4′‐diamino diphenyl sulfone hardener, are prepared using azodicarbonamide and 4,4′‐oxydibenzenesulfonyl hydrazide as a chemical foaming agent (CFA). Kinetic models for heat release and CFA decomposition are established using the auto‐catalytic and n‐th order models, respectively. By integrating the transient flow of resin during the foaming process, numerical simulations of the temperature field evolution within the self‐expanding geometry are conducted to investigate the effects of foaming temperature, heat transfer coefficient, and mold diameter on spatial temperature distributions. A comparison of the kinetic parameters of epoxy curing and CFA decomposition at various foaming temperatures (433, 443, and 453 K) reveals that the acceleration of the curing rate is consistent with that of the decomposition rate as the foaming temperature increases, then the foam structure remains largely unchanged across different foaming temperatures. However, local overheating is unavoidable for the foams at 443 and 453 K. This study offers a method for optimizing the processing parameters in preparing epoxy foams.Highlights
Auto‐catalytic model for predicting heat released rate is well established.
The decomposition kinetics of the chemical foaming agent is described by n‐th model.
Nonisothermal simulation is implemented to study the self‐expanded process of epoxy foam.
The foam structure is predicted by comparing the kinetic between the curing and expansion processes.
Fabrication of cucumber peel extract‐imbued dragon fruit peel pectin hydrogel packaging films: Assessment in preservation of chicken meat
Authors: Dalei Ganeswar , Jena Monalisa , Jena Debasis , Pattanaik Chiranjib , Das Bijnyan Ranjan , Das Subhraseema 
Published: January 2024

AbstractWith plastic packaging posing severe risk on ecosystem, there is a crucial need for the development of sustainable and eco‐friendly packaging materials for food preservation. This work aims to develop cucumber peel extract imbued into dragon fruit peel pectin films for meat packaging. The cucumber peel extract and dragon fruit peel pectin were obtained by via the environmentally benign microwave‐assisted method. Incorporation of cucumber peel extract led to an enhancement in the density and thickness of the pectin thin films. In addition to improving the tensile strength, antioxidant potential, and opacity of the films, the water‐barrier properties were also augmented. Trials on chicken meat indicated lower pH changes, weight loss, and total volatile basic nitrogen (TVB‐N) values during the refrigerated storage tenure. Thus, our work paves the path for the design of a sustainable packaging for meat and simultaneously addresses the valorization of fruit peel wastes.Highlights
Dragon fruit peel pectin, cucumber peel extract obtained by microwave method.
Peel extract‐imbued pectin thin films were fabricated using polyethylene glycol (PEG) as plasticizer.
Addition of peel extract enhanced the density and opacity of films.
Films have good tensile strength, water‐barrier, and antioxidant properties.
Chicken meat packaging suggested lower pH, weight loss, and TVB‐N values.
Smartphone‐based colorimetric determination of some physicochemical properties of polyaniline on flexible cellulose substrate
Authors: Das Kaushik , Bhattacharya Pujan Sankar , Das Jayanta , Dasgupta Debadrita , Saha Biswajit 
Published: January 2024

AbstractPolymer‐based materials are of high potential for application as active materials in contemporary electronic gadgets. The functionality of such materials is highly dependent on their oxidation state and requires fine control during their synthesis. Owing to that, we have designed a cost‐effective, simple, portable, system for calibration and the detection of the optical and electrical properties of polyaniline loaded on a paper substrate using a smartphone‐based colorimetric sensor. The vapor phase polymerization technique was adopted for preparing polyaniline. Colorimetric measurements of polyaniline‐loaded papers were achieved by estimating the hue, saturation and value (HSV) color parameter values using an open‐source smartphone application called “Color Grab (Color Detection)” during synthesis at different time intervals. The proposed sensor relies on the principle of Beer–Lambert law. The rear camera of the smartphone acts as a sensor and captures the light signal from the samples and provides information to the colorimetric app. The colorimetric results showed a promising correlation between the color parameter values with their electrical properties. The optical absorbance results of all polyaniline‐loaded papers are also in accordance with the H parameter values. The proposed sensor can be used as a portable smartphone‐based point‐of‐care testing kit to bring in‐situ control during synthesis.Highlights
Conducting polymer on flexible cellulose substrate.
Smartphone‐based visual colorimetric sensor.
Biodegradable and environment‐friendly electronic material.
Variation of electrical properties in terms of hue values.
Cheap, portable sensor for point‐of‐care testing.
In silico prediction of preventive activities of bioactive hazelnut peptides against COVID‐19 and Monkeypox 2022
Authors: Güneş Zeynep Saliha , Çakır Bilal , Gülseren İbrahim 
Published: January 2024

AbstractThe coronavirus 2 (SARS‐CoV‐2), a positive‐sense RNA virus that causes severe acute respiratory illness, is the cause of Coronavirus Disease 2019 (COVID‐19) and Monkeypox is a zoonotic viral disease caused by a double‐strand enveloped DNA virus, a member of the Poxviridae family under the umbrella of the Orthopoxvirus genus. These viruses have harmed global health, societal stability, and global economy prompting the development of new therapeutic options. The purpose of this study was to analyze the potency of hazelnut‐derived bioactive peptides for usage in preventive measures against SARS‐CoV‐2 and Monkeypox infections. Since SARS‐CoV‐2 entry into the host cell takes place through angiotensin‐converting enzyme (ACE) receptors, an in silico attempt was made here to analyze the previously characterized ACE‐inhibitory hazelnut peptides for their anti‐COVID potential. First of all, peptide sequences with PeptideRanker values >0.5 were determined, where 43 of 256 hazelnut peptides met this condition. BIOPEP tools were used to calculate their ACE‐inhibitory characteristics. VPHW and DENPRHF demonstrated the strongest ACE‐inhibitory activity based on BIOPEP analysis. The binding potentials of VPHW (p < 0.001) and DENPRHF (p < 0.001) peptides to ACE were statistically significant based on PepSite2 analysis. The hazelnut‐derived peptides were docked with ACE, spike proteins, SARS‐CoV‐2 proteases, host cell receptors, and Monkeypox 2022 membrane proteins using HPEPDOCK and CABS‐dock. The in silico findings pointed out potential inhibition of SARS‐CoV‐2 main protease in the host cell and Monkeypox 2022 membrane protein and demonstration of multiple bioactivities.
Sequence effects on the thermal cis–trans isomerization of side‐chain stearate‐containing azobenzene polymers
Authors: Sahanawaz Md , Maity Manik Lal , Goswami Krishna Gopal , Sar Pintu , De Priyadarsi , Bandyopadhyay Subhajit 
Published: January 2024

AbstractPhotochromic azobenzenes undergo light‐mediated trans–cis isomerization. The cis isomer reverts to the trans isomer thermally. To investigate the effect of different monomer sequences on the thermal stability of cis‐azobenzene, a series of copolymers, namely, block, and random structures containing stearic acid and azobenzene moieties as their side chains have been synthesized through reversible addition–fragmentation chain transfer (RAFT) polymerization. In this study, we investigate the photoisomerization of the trans and cis forms of the polymers and also the thermal reversal of the cis‐azobenzene photochromic systems. The isomerization data revealed significant differences in the isomerization timescales between the polymers and the corresponding monomer. It was observed that the local polarity around the azobenzene units within a polymer was significantly influenced by the chain segment depending on whether it was in the vicinity of the hydrophobic alkyl chains or other azobenzene units. This local environment of the azobenzene units regulates the stabilization of the transition states during the cis–trans thermal isomerization, consequently affecting the half‐life of the cis isomer.
Trials and tribulations of Neotropical plant taxonomy: Pace of tree species description
Authors: Luján Manuel , Lemos Rosalinda Medina , Lucas Eve , Michelangeli Fabián A. , Prance Ghillean T. , Pennington Terry D. , Rzedowski Jerzy , Santamaría‐Aguilar Daniel , Serpell Ella , Sothers Cynthia A. , Zuntini Alexandre R. 
Published: January 2024

Societal Impact StatementGiven the current unprecedented concerns for global biodiversity loss, it is critical to identify best practices for describing new species more efficiently so we can complete the inventory of the Neotropical flora and implement appropriate conservation strategies in a timely manner. This study aims to answer the question of how long it takes to describe a new species of tree in the Neotropics by calculating the time elapsed from collection of the first specimen to the publication of a new species. It demonstrates that enhancing international collaboration and promoting taxonomy training may be the most efficient ways to accelerate species descriptions.Summary

One of the main aspects of taxonomic research is the description of new species. Identifying how to describe new species more efficiently is key to completing the inventory of the Neotropical flora in an era of massive biodiversity loss.
Here, we calculate the interval between first specimen collection and publication of new species for a group of 2123 Neotropical trees, and discuss the historical context surrounding specimen collection and new species publication events.
Our results reveal that on average, it takes almost 16 years from specimen collection to publication of a new Neotropical tree species, which is considerably shorter than previous estimates for other tropical groups. Peru had the longest average time lags by country, while Haiti had the shortest. The average time lags increased until the early 1900s, when a decrease was observed, with the shortest lags between 1941 and 1960.
We found that the majority of the species described more rapidly are from plants collected by a field botanist and described by a herbarium‐based researcher as part of ad hoc collaboration, and the ones collected and described by the same researcher. We demonstrate how political instability and conflict can delay or impede the completion of taxonomic research initiatives in the region. We argue that enhancing international collaboration and training opportunities in Latin American countries, as well as ensuring safe plant collection campaigns, are critical to complete the inventory of the Neotropical flora.
Integration of the cancer cell secretome and transcriptome reveals potential noninvasive diagnostic markers for bladder cancer
Authors: Chen Yi‐Ting , Tu Wei‐Ju , Ye Zong‐Han , Wu Chih‐Ching , Ueng Shir‐Hwa , Yu Kai‐Jie , Chen Chien‐Lun , Peng Pei‐Hua , Yu Jau‐Song , Chang Ying‐Hsu 
Published: January 2024

AbstractPurposeBladder cancer (BLCA) is a major cancer of the genitourinary system. Although cystoscopy is the standard protocol for diagnosing BLCA clinically, this procedure is invasive and expensive. Several urine‐based markers for BLCA have been identified and investigated, but none has shown sufficient sensitivity and specificity. These observations underscore the importance of discovering novel BLCA biomarkers and developing a noninvasive method for detection of BLCA. Exploring the cancer secretome is a good starting point for the development of noninvasive biomarkers for cancer diagnosis.Experimental DesignIn this study, we established a comprehensive secretome dataset of five representative BLCA cell lines, BFTC905, TSGH8301, 5637, MGH‐U1, and MGH‐U4, by liquid chromatography‐tandem mass spectrometry (LC‐MS/MS). Expression of BLCA‐specific secreted proteins at the transcription level was evaluated using the Oncomine cancer microarray database.ResultsThe expressions of four candidates—COMT, EWSR1, FUSIP1, and TNPO2—were further validated in clinical human specimens. Immunohistochemical analyses confirmed that transportin‐2 was highly expressed in tumor cells relative to adjacent noncancerous cells in clinical tissue specimens from BLCA patients, and was significantly elevated in BLCA urine compared with that in urine samples from aged‐matched hernia patients (controls).ConclusionsCollectively, our findings suggest TNPO2 as a potential noninvasive tumor‐stage or grade discriminator for BLCA management.
Dissecting the geometric and hydrophobic constraints of stapled peptides
Authors: Li Jianguo , Tan Yaw Sing , Verma Chandra S 
Published: January 2024

AbstractStapled peptides are a promising class of molecules with potential as highly specific probes of protein–protein interactions and as therapeutics. Hydrocarbon stapling affects the peptide properties through the interplay of two factors: enhancing the overall hydrophobicity and constraining the conformational flexibility. By constructing a series of virtual peptides, we study the role of each factor in modulating the structural properties of a hydrocarbon‐stapled peptide PM2, which has been shown to enter cells, engage its target Mouse Double Minute 2 (MDM2), and activate p53. Hamiltonian replica exchange molecular dynamics (HREMD) simulations suggest that hydrocarbon stapling favors helical populations of PM2 through a combination of the geometric constraints and the enhanced hydrophobicity of the peptide. To further understand the conformational landscape of the stapled peptides along the binding pathway, we performed HREMD simulations by restraining the peptide at different distances from MDM2. When the peptide approaches MDM2, the binding pocket undergoes dehydration which appears to be greater in the presence of the stapled peptide compared with the linear peptide. In the binding pocket, the helicity of the stapled peptide is increased due to the favorable interactions between the peptide residues as well as the staple and the microenvironment of the binding pocket, contributing to enhanced affinity. The dissection of the multifaceted mechanism of hydrocarbon stapling into individual factors not only deepens fundamental understanding of peptide stapling, but also provides guidelines for the design of new stapled peptides.