bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigating femoral growth disruption in subadults from the 10th–13th century St. Étienne cemetery of Toulouse, France
Authors: Welsh H. , Brickley M. B. 
Published: June 2024

AbstractObjectivesThe skeleton embodies an individual's environment and lived experiences. Studying childhood growth disruption can, therefore, aid in understanding the experiences of children in the past. This study evaluates growth disruption in a medieval Toulousian subadult sample to explore factors that may have influenced childhood growth and mortality at this site and to assess the utility of Harris line (HL) interpretations in bioarchaeology.Materials and MethodsFemoral growth disruption was assessed in n = 71 subadults (0.125–12.42 years) from the 10th–13th century St. Étienne cemetery of Toulouse, France, using femoral length, total area, cortical area, and relative cortical area. Femoral radiographs were assessed for HLs. To determine the prevalence of growth disruption, z‐scores were calculated using data from the Denver growth study.ResultsThe majority of subadults in this sample suffered from femoral growth disruption. Young children (1.0–3.99 years) were the most affected, with >65% experiencing reduced appositional growth and linear growth stunting at time‐of‐death. Additionally, while many individuals presented with observable HLs, linear and appositional growth did not significantly differ between individuals with and without HLs.DiscussionMaternal malnutrition and inadequate complementary feeding practices likely contributed to the high prevalence of growth disruption among the youngest individuals in the study. The older children and adolescents buried at St. Étienne experienced an amelioration in growth deficits, indicating an improvement in nutrition and/or disease load. The results of this study suggest that more consideration is required when interpreting the presence/absence of HLs, and that studies assessing HLs may benefit from using a more individualistic approach.
CdS Quantum Dot Gels as a Direct Hydrogen Atom Transfer Photocatalyst for C−H Activation
Authors: Liu Daohua , Hazra Atanu , Liu Xiaolong , Maity Rajendra , Tan Ting , Luo Long 
Published: June 2024

AbstractHere, we report CdS quantum dot (QD) gels, a three‐dimensional network of interconnected CdS QDs, as a new type of direct hydrogen atom transfer (d‐HAT) photocatalyst for C−H activation. We discovered that the photoexcited CdS QD gel could generate various neutral radicals, including α‐amido, heterocyclic, acyl, and benzylic radicals, from their corresponding stable molecular substrates, including amides, thio/ethers, aldehydes, and benzylic compounds. Its C−H activation ability imparts a broad substrate and reaction scope. The mechanistic study reveals that this reactivity is intrinsic to CdS materials, and the neutral radical generation did not proceed via the conventional sequential electron transfer and proton transfer pathway. Instead, the C−H bonds are activated by the photoexcited CdS QD gel via a d‐HAT mechanism. This d‐HAT mechanism is supported by the linear correlation between the logarithm of the C−H bond activation rate constant and the C−H bond dissociation energy (BDE) with a Brønsted slope α=0.5. Our findings expand the currently limited direct hydrogen atom transfer photocatalysis toolbox and provide new possibilities for photocatalytic C−H activation.
General In Situ Engineering of Carbon‐Based Materials on Carbon Fiber for In Vivo Neurochemical Sensing
Authors: Zeng Hui , Ren Guoyuan , Gao Nan , Xu Tianci , Jin Peng , Yin Yongyue , Liu Rantong , Zhang Shuai , Zhang Meining , Mao Lanqun 
Published: June 2024

AbstractDeveloping real‐time, dynamic, and in situ analytical methods with high spatial and temporal resolutions is crucial for exploring biochemical processes in the brain. Although in vivo electrochemical methods based on carbon fiber (CF) microelectrodes are effective in monitoring neurochemical dynamics during physiological and pathological processes, complex post modification hinders large‐scale productions and widespread neuroscience applications. Herein, we develop a general strategy for the in situ engineering of carbon‐based materials to mass‐produce functional CFs by introducing polydopamine to anchor zeolitic imidazolate frameworks as precursors, followed by one‐step pyrolysis. This strategy demonstrates exceptional universality and design flexibility, overcoming complex post‐modification procedures and avoiding the delamination of the modification layer. This simplifies the fabrication and integration of functional CF‐based microelectrodes. Moreover, we design highly stable and selective H+, O2, and ascorbate microsensors and monitor the influence of CO2 exposure on the O2 content of the cerebral tissue during physiological and ischemia‐reperfusion pathological processes.
Deuteration as a General Strategy to Enhance Azobenzene‐Based Photopharmacology
Authors: Roßmann Kilian , Gonzalez‐Hernandez Alberto J. , Bhuyan Rahul , Schattenberg Caspar , Sun Han , Börjesson Karl , Levitz Joshua , Broichhagen Johannes 
Published: June 2024

AbstractChemical photoswitches have become a widely used approach for the remote control of biological functions with spatiotemporal precision. Several molecular scaffolds have been implemented to improve photoswitch characteristics, ranging from the nature of the photoswitch itself (e.g. azobenzenes, dithienylethenes, hemithioindigo) to fine‐tuning of aromatic units and substituents. Herein, we present deuterated azobenzene photoswitches as a general means of enhancing the performance of photopharmacological molecules. Deuteration can improve azobenzene performance in terms of light sensitivity (higher molar extinction coefficient), photoswitch efficiency (higher photoisomerization quantum yield), and photoswitch kinetics (faster macroscopic rate of photoisomerization) with minimal alteration to the underlying structure of the photopharmacological ligand. We report synthesized deuterated azobenzene‐based ligands for the optimized optical control of ion channel and G protein‐coupled receptor (GPCR) function in live cells, setting the stage for the straightforward, widespread adoption of this approach.
Temperature‐Gradient Solution Deposition Amends Unfavorable Band Structure of Sb2(S,Se)3 Film for Highly Efficient Solar Cells
Authors: Huang Lei , Dong Jiabin , Hu Yue , Yang Junjie , Peng Xiaoqi , Wang Haolin , Liu Aoxing , Dong Yizhe , Wang Hong , Zhu Changfei , Tang Rongfeng , Zhang Yi , Chen Tao 
Published: June 2024

AbstractBand structure of a semiconducting film critically determines the charge separation and transport efficiency. In antimony selenosulfide (Sb2(S,Se)3) solar cells, the hydrothermal method has achieved control of band gap width of Sb2(S,Se)3 thin film through tuning the atomic ratio of S/Se, resulting in an efficiency breakthrough towards 10 %. However, the obtained band structure exhibits an unfavorable gradient distribution in terms of carrier transport, which seriously impedes the device efficiency improvement. To solve this problem, here we develop a strategy by intentionally regulating hydrothermal temperature to control the chemical reaction kinetics between S and Se sources with Sb source. This approach enables the control over vertical distribution of S/Se atomic ratio in Sb2(S,Se)3 films, forming a favorable band structure which is conducive to carrier transport. Meanwhile, the adjusted element distribution not only ensures the uniformity of grain structure, but also increases the Se content of the films and suppress sulfur vacancy defects. Ultimately, the device delivers a high efficiency of 10.55 %, which is among the highest reported efficiency of Sb2(S,Se)3 solar cells. This study provides an effective strategy towards manipulating the element distribution in mixed‐anion compound films prepared by solution‐based method to optimize their optical and electrical properties.
Property enhancement of acrylonitrile butadiene rubber/bagasse ash composites by tannic acid
Authors: Pattanawanidchai Sirichai , Sae‐Oui Pongdhorn , Suwantrakit Noottiyaporn , Khunchanon Sommat , Pangamol Pathompong , Siriwong Chomsri 
Published: June 2024

AbstractBagasse ash (BA) is an agricultural waste obtained from power plants using sugarcane bagasse as an energy source. Although BA is successfully used as a building material, its application in the polymer industry remains challenging due to the lack of surface reactivity. In this study, BA was purified and named PBA before being incorporated into acrylonitrile butadiene rubber (NBR). Tannic acid (TA), a naturally occurring plant polyphenol, was used as a surface‐modifying agent for improved interfacial interaction. The effect of TA content on the properties of PBA‐filled NBR was investigated. The results showed that the presence of TA resulted in cure retardation, i.e., the scorch time, cure time, and activation energy of the vulcanization reaction increased with increasing TA content. However, the increase in TA content enhanced a rubber‐filler interaction, as evidenced by the considerable increase in bound rubber content. Such an enhancement resulted in the improvement of certain mechanical properties, including hardness, modulus, tensile strength, and tear strength. This research showed that tannic acid can be used as a surface‐modifying agent in NBR/PBA composites.
Machine Learning for Perovskite Solar Cells: An Open‐Source Pipeline
Authors: Roberts Nicholas , Jones Dylan , Schuy Alex , Hsu Shi‐Chieh , Lin Lih Y. 
Published: June 2024

AbstractAmong promising applications of metal‐halide perovskite, the most research progress is made for perovskite solar cells (PSCs). Data from myriads of research work enables leveraging machine learning (ML) to significantly expedite material and device optimization as well as potentially design novel configurations. This paper represents one of the first efforts in providing open‐source ML tools developed utilizing the Perovskite Database Project (PDP), the most comprehensive open‐source PSC database to date with over 43 000 entries from published literature. Three ML model architectures with short‐circuit current density (Jsc) as a target are trained exploiting the PDP. Using the XGBoost architecture, a root mean squared error (RMSE) of 3.58 , R2 of 0.35 and a mean absolute percentage error (MAPE) of 9.49% are achieved. This performance is comparable to results reported in literature, and through further investigation can likely be improved. To overcome challenges with manual database creation, an open‐source data cleaning pipeline is created for PDP data. Through the creation of these tools, which have been published on GitHub, this research aims to make ML available to aid the design for PSC while showing the already promising performance achieved. The tools can be adapted for other applications, such as perovskite light‐emitting diodes (PeLEDs), if a sufficient database is available.
Benzenesulfonamides functionalized with triazolyl‐linked pyrazoles possess dual cathepsin B and carbonic anhydrase inhibitory action
Authors: Siwach Kiran , Arya Priyanka , Vats Lalit , Sharma Vikas , Giovannuzzi Simone , Raghav Neera , Supuran Claudiu T. , Sharma Pawan K. 
Published: June 2024

AbstractThe design and synthesis of a library of 21 novel benzenesulfonamide‐bearing 3‐functionalized pyrazole‐linked 1,2,3‐triazole derivatives as dual inhibitors of cathepsin B and carbonic anhydrase enzymes are reported. The target 1,2,3‐triazole‐linked pyrazolic esters (16) were synthesized by the condensation of 1,2,3‐triazolic diketo esters with 4‐hydrazinobenzenesulfonamide hydrochloride, and these were further converted into the corresponding carboxylic acid (17) and carboxamide (18) analogs. The synthesized compounds were assayed in vitro for their inhibition potential against human carbonic anhydrase (hCA) isoforms I, II, IX, and XII. They were found to be potent inhibitors at the low nanomolar level against the cancer‐related hCA IX and XII and to be selective towards the cytosolic isoform hCA I. The physiologically important isoform hCA II was potently inhibited by all the newly synthesized compounds showing KI values ranging between 0.8 and 561.5 nM. The ester derivative 16c having 4‐fluorophenyl (KI = 5.2 nM) was the most potent inhibitor of hCA IX, and carboxamide derivative 18b (KI = 2.2 nM) having 4‐methyl substituted phenyl was the most potent inhibitor of hCA XII. The newly synthesized compounds exhibited potent cathepsin B inhibition at 10−7 M concentration. In general, the carboxamide derivatives (18) showed higher % inhibition as compared with the corresponding ester derivatives (16) and carboxylic acid derivatives (17) for cathepsin B. The interactions of the target compounds with the active sites of cathepsin B and CA were studied through molecular docking studies. Further, the in silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) and drug‐likeness properties of the target compounds were also studied.
Local impact of books: A comparison of libcitations from research‐oriented and public libraries
Authors: Vandewalle Eline , Guns Raf , Engels Tim C. E. 
Published: June 2024

AbstractWe explore the potential of libcitations from local research‐oriented and public library catalogues for a study of the societal and cultural impact of books authored by academics from the Social Sciences and Humanities (SSH). The study relies on data from the bibliographic database VABB‐SHW, the Flemish public library catalogue Cultuurconnect, and the Belgian research library catalogue UniCat. We find that whereas a majority of academically authored SSH books appear in research‐oriented libraries, the holdings in public libraries are limited. However, libcitations in public libraries are indicative of societal and cultural impact, particularly for books written in the domestic language (in this case Dutch) and books that are not primarily aimed at academic peers (and are not peer‐reviewed). Additionally, we find that the books held in local libraries include different genres and dissemination types, as SSH scholars contribute to the creation of societal and cultural impact in a variety of ways. An overview of the types of books attaining high scores in public and research‐oriented libraries showcases avenues for the creation of societal impact through popularized literature.
pH‐response of protein‐polysaccharide multilayers adsorbed on a flat gold surface: A surface plasmon resonance study
Authors: Katsenou Nikolitsa , Spiliopoulos Nikolaos , Anastassopoulos Dimitrios L. , Papagiannopoulos Aristeidis , Toprakcioglu Chris 
Published: June 2024

AbstractPolysaccharide‐protein multilayers (PPMLs) consisting of bovine serum albumin (BSA) and chondroitin sulfate (CS) are assembled in acidic solution (pH 4.2) via layer‐by‐layer deposition method. The formation of PPMLs on gold surface and their responsiveness to pH change from 4.2 to 7 is investigated by Surface Plasmon Resonance Spectroscopy. The buildup of the multilayer at pH 4.2 exhibits non‐linear growth while the formation of the first layers is strongly affected by the physicochemical properties of the gold surface. Neutral solution (pH 7) affects the interactions between the biopolymers and results in a partially disassemble (disintegration) of the multilayer film. On one hand, the single pair of layers, BSA‐CS and the double pair of layers, (BSA‐CS)2, assemblies are stable in neutral pH, a result that will be of interest for biomedical applications. On the other hand, multilayer films consisting of more than four layers that is (BSA‐CS)2<n<5, disintegrated down to the 4‐layered structure by changing pH to neutral, a fact that renders the (BSA‐CS)n assembly useful in the field of drug and protein delivery. The residual mass after the disintegration of the assembly never falls below the mass of four layers. The disintegrated multilayer film can be reconstructed and disassembled repeatedly, simply by cycling the pH value.
Artificial intelligence positive psychology and therapy
Authors: Prescott Julie , Barnes Steven 
Published: June 2024

AbstractAimThis perspective piece will consider utilising the concepts of positive psychology, specifically in terms of relationships through the application of artificial intelligence (AI) for therapeutic intervention. We will provide an overview of positive psychology, consider how this can be applied in the therapeutic setting and how AI, and more currently artificial wisdom, can support this application.FindingsThrough an overview of existing research concerning the use of AI in therapeutic environments, it is evident that research is looking into this area with the prospect of supporting a more diverse client base, and it is an area therapists need to be aware of, and potential training in.DiscussionThe paper considers the future use of AI and artificial wisdom, providing potential insights into the direction of research in this area.
Physicochemical, functional, pasting, and amino acid compositions of milled rice, and extrusion behavior of milled rice from basmati and nonbasmati varieties
Authors: Mudgal Swasti , Singh Narpinder 
Published: June 2024

AbstractBackground and ObjectivesThis study was carried out to evaluate the difference in physiochemical, functional, cooking, textural, and pasting properties along with amino acid profile of nine basmati and nine nonbasmati rice varieties. Principle component statistical analysis was done to analyse the relationships among different properties of these varieties. Some verities containing high amylose content and good amino acid profile were selected for further development of extruded products (rice extrudates).FindingsVariations were observed in the physicochemical and functional properties of basmati and nonbasmati varieties. Low amylose rice varieties had higher cooking time, firmness, pasting temperature, and lower pasting viscosity. Selected high amylose‐containing varieties were showed higher bulk density but lower expansion ratio and hardness of rice extrudates. Result of this study will help industry for selection of rice for development of gluten‐free rice‐based breakfast cereals, puffed rice snacks, and so forth.ConclusionsAmong all varieties, PR122, PR128, PB3, PB4, and PB1121 exhibited higher levels of ash content, amylose content and protein content. Consequently, these varieties demonstrated longer CT, greater GSL, higher cooked grain firmness, and higher pasting PT, although they exhibited lower PV. PB1637, PB1509, PB1121, and PB4 displayed higher levels of essential AAs and sweet taste attributing amino acids, such as serine, glycine, and alanine, when compared to the other varieties. The results showed that rice containing higher amylose had lower expansion ratio of the extrudates, while higher bulk density and hardness. PR126 and CSR30 had the highest expansion ratio among the varieties that have been evaluated. Based on these results, PR126 and CSR30 could be used to make gluten‐free rice‐based breakfast cereals, rice snacks, and instant products.Significance and NoveltyPhysiochemical, functional, cooking, texture, pasting properties as well as amino acid profile were evaluated of different basmati and non‐basmati Indian (Punjab) varieties. Principle component (Relationship) analysis between various properties and different rice varieties was carried out. Extrusion is the most versatile processing technology used in the food industry to develop the product having better functional and sensory characteristics. The findings highlight the necessity of taking amylose content and amino acid composition into account when selecting rice types for preparation of extruded rice food.
Functionalization of Alginate Hydrogels with a Multifunctional Peptide Supports Mesenchymal Stem Cell Adhesion and Reduces Bacterial Colonization
Authors: Oliver‐Cervelló Lluís , López‐Gómez Patricia , Martin‐Gómez Helena , Marion Mahalia , Ginebra Maria‐Pau , Mas‐Moruno Carlos 
Published: June 2024

AbstractHydrogels with cell adhesive moieties stand out as promising materials to enhance tissue healing and regeneration. Nonetheless, bacterial infections of the implants represent an unmet major concern. In the present work, we developed an alginate hydrogel modified with a multifunctional peptide containing the RGD cell adhesive motif in combination with an antibacterial peptide derived from the 1–11 region of lactoferrin (LF). The RGD‐LF branched peptide was successfully anchored to the alginate backbone by carbodiimide chemistry, as demonstrated by 1H NMR and fluorescence measurements. The functionalized hydrogel presented desirable physicochemical properties (porosity, swelling and rheological behavior) to develop biomaterials for tissue engineering. The viability of mesenchymal stem cells (MSCs) on the peptide‐functionalized hydrogels was excellent, with values higher than 85 % at day 1, and higher than 95 % after 14 days in culture. Moreover, the biological characterization demonstrated the ability of the hydrogels to significantly enhance ALP activity of MSCs as well as to decrease bacterial colonization of both Gram‐positive and Gram‐negative models. Such results prove the potential of the functionalized hydrogels as novel biomaterials for tissue engineering, simultaneously displaying cell adhesive activity and the capacity to prevent bacterial contamination, a dual bioactivity commonly not found for these types of hydrogels.
Active Site Environment and Reactivity of Copper‐Aβ in Membrane Mimetic SDS Micellar Environment
Authors: Dey Chinmay , Roy Madhuparna , Ghosh Rimi , Pal Puja , Roy Debapriyo , Ghosh Dey Somdatta 
Published: June 2024

AbstractAlzheimer's disease (AD) is characterized by the abnormal aggregation of amyloid β (Aβ) peptide in extracellular deposits generated upon proteolysis of Amyloid Precursor Protein (APP). While copper (Cu(II)) binds to Aβ in soluble oligomeric and aggregated forms, its interaction with membrane‐bound Aβ remains elusive. Investigating these interactions is crucial for understanding AD pathogenesis. Here, utilizing SDS micelles as a simplified membrane mimic, we focus on elucidating the interplay between membrane‐anchored Aβ and copper, given their pivotal roles in AD. We employed spectroscopic techniques including UV, CD, and EPR to characterize the active site of Cu‐Aβ complexes. Our findings demonstrate that copper interacts with Aβ peptides in membrane‐mimicking micellar environments similarly to aqueous buffer solutions. Cu‐Aβ complexes in this medium also induce higher hydrogen peroxide (H2O2) production, potentially contributing to AD‐related oxidative stress. Moreover, we observe an increased oxidation rate of neurotransmitter such as dopamine by Cu‐Aβ complexes. These results enhance our understanding of Cu‐Aβ interactions in AD pathology and offer insights into potential therapeutic interventions targeting this interaction.
Binary and Ternary Deep Eutectic Solvents for Methylene Green Electropolymerization on Multiwalled Carbon Nanotubes: Optimization, Characterization and Application
Authors: Almeida Joseany M. S. , Pedro Zeferino S. B. , Buoro Rafael M. , Brett Christopher M. A. 
Published: June 2024

AbstractCholine chloride (ChCl) based binary and ternary deep eutectic solvents (DES) were evaluated for methylene green electropolymerization with oxalic acid (OA) and ethylene glycol (EG) as hydrogen bond donors. Binary DES ChCl : OA in molar ratios 1 : 1 and 2 : 1 and ChCl : EG 1 : 2 and ternary DES (tDES) in different molar ratios and percentages of water were evaluated. The highest polymer growth was in ChCl : OA : EG‐tDES with 13% added water, that had a lower viscosity and higher ionic conductivity when associated with HCl as dopant. This enhanced the formation of more cation radicals and, consequently, more polymer formation. The PMG/MWCNT/GCE‐tDES sensor was successfully applied to the simultaneous determination of 5‐aminosalicylic acid (5‐ASA) and acetaminophen (APAP) by differential pulse voltammetry in the concentration range 1 μM–200 μM, with detection limits of 0.37 μM and 0.49 μM for 5‐ASA and APAP, respectively. The sensor demonstrated good repeatability, reproducibility and stability, and was successfully applied in pharmaceutical formulations.