bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mapping grasslands' preservation potential: A case study from the northern Carpathians
Authors: Szczęch Mateusz , Kania Maciej , Loch Jan , Ostapowicz Katarzyna , Struś Paweł 
Published: October 2023

AbstractThe grasslands which are an important part of an ecosystem are endangered due to abandonment of traditional forms of land use. Preservation of biodiversity of semi‐natural grassland communities is of great importance, therefore it is important to identify threats and prepare a sustainable plan for their protection The goal of this study was to develop an approach to predict threatened grasslands hotspots, basing on multi‐factor machine learning analyses. The Gorce Mountains in the Polish Carpathians were chosen as a study area, as it is region partially protected by National Park, surrounded by villages with different socio‐economic conditions (agriculture or touristic oriented). The grasslands were identified and classified on Sentinel‐2 multispectral imagery. As lack of regular mowing of grasslands was found as main factor promoting forest succession. Therefore, in order to find endangered grasslands areas, support vector machines' algorithm was used to classify them in mowed and unmowed categories. Then the preservation potential of grasslands was modeled with the random forest method, based on the grasslands' mowing classification, digital terrain model, land‐use and population statistical data, and the historical forest extent. We found the grasslands above 750 m above sea level to be the most endangered. Also, the tourism activity and ongoing changes in employment structure from agriculture to services has had a negative influence on the grasslands preservation potential. On the other hand, the Gorce National Park's active grassland conservation by mowing and grazing was shown as a positive element in keeping with the high biodiversity of the area.
Seeking variety on the move: The effect of residential mobility on variety seeking
Authors: Cheng Jingran , Chi Yunjia , Bao Yuze 
Published: October 2023

AbstractGiven the widespread occurrence of residential mobility, it is interesting that people are seeking stability. However, the current research finds otherwise and sheds light on how mobility impacts consumers’ variety seeking. An analysis of national panel data and four studies show that consumers with residential mobility behave more variably. Specifically, residential mobility can encourage consumers to seek more variety by increasing their change‐seeking mindsets. Voluntariness of mobility moderates the positive effect of residential mobility on variety seeking. These results were proven using past moving experiences (an exploratory study, Studies 2 and 3) or by manipulating residential mobility (Studies 4 and 5). Our research reveals the causal relationship, underlying process, and moderation between residential mobility and variety seeking, helping enterprises manage variety‐seeking behaviors.
Microwave imaging for monitoring breast cancer treatment: A pilot study
Authors: Smith Katrin , Bourqui Jeremie , Wang Zefang , Besler Brendon , Lesiuk Mark , Roumeliotis Michael , Quirk Sarah , Grendarova Petra , Pinilla James , Price Sarah , Docktor Bobbie , Fear Elise 
Published: October 2023

AbstractBackgroundMicrowave imaging has been proposed for medical applications, creating maps related to water content of tissues. Breast imaging has emerged as a key application because the signals can be coupled directly into the breast and experience limited attenuation in fatty tissues. While the literature contains reports of tumor detection with microwave approaches, there is limited exploration of treatment monitoring.PurposeThis study aims to detect treatment‐related changes in breast tissue with a low‐resolution microwave scanner.MethodsMicrowave scans of 15 patients undergoing treatment for early‐stage breast cancer are collected at up to 4 time points: after surgery (baseline), 6 weeks after accelerated partial breast radiation, as well as 1 and 2 years post‐treatment. Both the treated and untreated breast are scanned at each time point. The microwave scanner consists of planar transmit and receive arrays and uses signals from 0.1 to 10 GHz. The average microwave frequency properties (permittivity) are calculated for each scan to enable quantitative comparison. Baseline and 6‐week results are analyzed with a two‐way ANOVA with blocking.ResultsConsistent properties are observed for the untreated breast over time, similar to a previous study. Comparison of the scans of the treated and untreated breast suggests increased properties related to treatment, particularly at baseline and 6‐weeks following radiotherapy. Analysis of the average properties of the scans with ANOVA indicates statistically significant differences () in the treated and untreated breast at these time points.ConclusionsMicrowave imaging has the potential to track treatment‐related changes in breast tissues.
Exploring the Effects of Various Capping Agents on Zinc Sulfide Quantum Dot Characteristics and In‐vitro Fate
Authors: Montaseri Zohre , Tamaddon Ali Mohammad , Raee Mohammad Javad , Farvadi Fakhrossadat 
Published: October 2023

AbstractThe choice of capping agents used during the synthesis process of quantum dots (QDs) can significantly influence their fate and fundamental properties. Hence, choosing an appropriate capping agent is a critical step in both synthesis and biomedical application of QDs. In this research, ZnS QDs were synthesized via chemical precipitation process and three commonly employed capping agents, namely mercaptoethanol (ME), mercaptoacetic acid (MAA), and cysteamine (CA), were used to stabilize the QDs. This study was aimed to examine how these capping agents impact the physicochemical and optical characteristics of ZnS QDs, as well as their interactions with biological systems. The findings revealed that the capping agents had considerable effects on the behavior and properties of ZnS QDs. MAA‐QD exhibited superior crystal lattice, smaller size, and significant quantum yield (QY). In contrast, CA‐QDs demonstrated the lowest QY and the highest tendency for aggregation. ME‐QDs exhibited intermediate characteristics, along with an acceptable level of cytotoxicity, rapid uptake by cells, and efficient escape from lysosomes. Consequently, it is advisable to select capping agents in accordance with the specific objectives of the research.
14‐3‐3 protein inhibits CaMKK1 by blocking the kinase active site with its last two C‐terminal helices
Authors: Petrvalska Olivia , Honzejkova Karolina , Koupilova Nicola , Herman Petr , Obsilova Veronika , Obsil Tomas 
Published: October 2023

AbstractCa2+/CaM‐dependent protein kinase kinases 1 and 2 (CaMKK1 and CaMKK2) phosphorylate and enhance the catalytic activity of downstream kinases CaMKI, CaMKIV, and protein kinase B. Accordingly, CaMKK1 and CaMKK2 regulate key physiological and pathological processes, such as tumorigenesis, neuronal morphogenesis, synaptic plasticity, transcription factor activation, and cellular energy homeostasis, and promote cell survival. Both CaMKKs are partly inhibited by phosphorylation, which in turn triggers adaptor and scaffolding protein 14‐3‐3 binding. However, 14‐3‐3 binding only significantly affects CaMKK1 function. CaMKK2 activity remains almost unchanged after complex formation for reasons still unclear. Here, we aim at structurally characterizing CaMKK1:14‐3‐3 and CaMKK2:14‐3‐3 complexes by SAXS, H/D exchange coupled to MS, and fluorescence spectroscopy. The results revealed that complex formation suppresses the interaction of both phosphorylated CaMKKs with Ca2+/CaM and affects the structure of their kinase domains and autoinhibitory segments. But these effects are much stronger on CaMKK1 than on CaMKK2 because the CaMKK1:14‐3‐3γ complex has a more compact and rigid structure in which the active site of the kinase domain directly interacts with the last two C‐terminal helices of the 14‐3‐3γ protein, thereby inhibiting CaMKK1. In contrast, the CaMKK2:14‐3‐3 complex has a looser and more flexible structure, so 14‐3‐3 binding only negligibly affects the catalytic activity of CaMKK2. Therefore, Ca2+/CaM binding suppression and the interaction of the kinase active site of CaMKK1 with the last two C‐terminal helices of 14‐3‐3γ protein provide the structural basis for 14‐3‐3‐mediated CaMKK1 inhibition.
Highly Diastereoselective Synthesis of Multifunctionalized Dihydrofurans by a K3PO4‐Promoted Michael Addition‐Alkylation Reaction
Authors: Feng Juhua , Feng Jinxiang , Li Juanhong , Huang Ailin , Hu Haipeng , Yang Shengnan , Liu Kuan , Yue Guizhou 
Published: October 2023

AbstractA simple and beneficial strategy for the construction of 2,3‐dihydrofurans from α‐bromochalcones and α‐substituted cyanoketones via Michael addition‐alkylation reaction has been realized. This transformation was well compatible with various α‐bromochalcones and α‐substituted cyanoketones, and the corresponding multifunctionalized 2,3‐dihydrofurans were obtained in up to 98 % yield. A highly diastereoselective variant of the reaction was also developed. Moreover, the reaction could be performed on gram‐scale.
Revealing the Mechano‐Electrochemical Coupling Behavior and Discharge Mechanism of Fluorinated Carbon Cathodes toward High‐Power Lithium Primary Batteries
Authors: Luo Zhenya , Luo Shun , Yang Mei , Mao Weiguo , Dai Cuiying , Pan Yong , Wu Dazhuan , Pan Junan , Ouyang Xiaoping 
Published: October 2023

AbstractUnclear reaction mechanisms and unsatisfactory power performance hinder the further development of advanced lithium/fluorinated carbon (Li/CFx) batteries. Herein, the mechano‐electrochemical coupling behavior of a CFx cathode is investigated by in situ monitoring strain/stress using digital image correlation (DIC) techniques, electrochemical methods, and theoretical equations. The DIC monitoring results present the distribution and dynamic evolution of the plane strain and indicate strong dependence toward the material structure and discharge rate. The average plane principal strain of fully discharged 2D fluorinated graphene nanosheets (FGNSs) at 0.5 C is 0.50%, which is only 38.5% that of conventional bulk‐structure CFx. Furthermore, the superior structural stability of the FGNSs is demonstrated by the microstructure and component characterization before and after discharge. The plane stress evolution is calculated based on theoretical equations, and the contributions of electrochemical and mechanical factors are examined and discussed. Subsequently, a structure‐dependent three‐region discharge mechanism for CFx electrodes is proposed from a mechanical perspective. Additionally, the surface deformation of Li/FGNSs pouch cells formed during the discharge process is monitored using in situ DIC. This study reveals the discharge mechanism of Li/CFx batteries and facilitates the design of advanced CFx materials.
Nano–Bio Interactions: Biofilm‐Targeted Antibacterial Nanomaterials
Authors: Li Bo , Mao Jiahui , Wu Jiawei , Mao Kerou , Jia Yangrui , Chen Fulin , Liu Jing 
Published: October 2023

AbstractBiofilm is a spatially organized community formed by the accumulation of both microorganisms and their secretions, leading to persistent and chronic infections because of high resistance toward conventional antibiotics. In view of the tunable physicochemical properties and the related unique biological behavior (e.g., size‐, shape‐, and surface charge‐dependent penetration, protein corona endowed targeting, catalytic‐ and electronic‐related oxidative stress, optical‐ and magnetic‐associated hyperthermia, etc.), nanomaterials‐based therapeutics are widely used for the treatment of biofilm‐associated infections. In this review, the biological characteristics of biofilm are introduced. And the nanomaterials‐based antibacterial strategies are further discussed via biofilm targeting, including preventing biofilm formation, enhancing biofilm penetration, disrupting the mature biofilm, and acting as drug delivery systems. In which, the interactions between biofilm and nanomaterials include mechanical disruption, electron transfer, enzymatic degradation, oxidative stress, and hyperthermia. Additionally, the current advances of nanomaterials for antibacterial nanomaterials by biofilm targeting are summarized. This review aims to present a complete vision of antibacterial nanomaterials–biofilm (nano–bio) interactions, paving the way for the future development and clinical translation of effective antibacterial nanomedicines.
Tracking Decomposition Layer Formation in Thin‐Film Si Electrodes via Thermogalvanic Profiles
Authors: Hubrechtsen Liese B. , De Taeye Louis L. , Vereecken Philippe M. 
Published: October 2023

AbstractSi anodes are of great interest for next‐generation Li‐ion batteries due to their exceptional energy density. One of the problems hindering the adoption of this material is the presence of electrolyte decomposition reactions that result in capacity fade and Coulombic inefficiency. This work studies the influence of the decomposition layer in Si on its electrochemical performance using thermogalvanic profiling, a non‐destructive in operando technique. This is accomplished by comparing thermogalvanic profiles of uncoated thin‐film Si to those of lithium phosphorus oxynitride (LiPON)‐coated Si, in which decomposition reactions are inhibited. Through a combination with physico‐chemical methods including scanning electron microscopy and time‐of‐flight secondary ion mass spectrometry, the thermogalvanic profiles are found to contain signatures that reflect the nature of the decomposition layer. More specifically, this decomposition layer appears to gradually develop a passivating function during the first electrochemical cycles. Thermogalvanic profiles collected at later cycles indicate that this passivating behavior is eventually lost, causing the observed capacity degradation. The identification of a passivating regime in Si is highly relevant for the development of high‐capacity Li‐ion batteries. In addition, the use of thermogalvanic profiles to track the properties of decomposition layers could be of interest for monitoring the formation or degradation of battery cells.
Quality of life after endoscopic procedures for chronic pancreatitis: A multicentre study
Authors: Parhiala Mikael , Nøjgaard Camilla , Bartholdy Andreas , Waage Anne , Ignatavičius Povilas , Engjom Trond , Dimcevski Georg , Nordaas Ingrid Kvåle , Kalaitzakis Evangelos , Drewes Asbjørn M. , Hadi Amer , Olesen Søren S. , Poulsen Jakob L. , Laukkarinen Johanna ,   the Scandinavian Baltic Pancreatic Club
Published: October 2023

AbstractBackgroundChronic Pancreatitis (CP) causes morphological changes in the pancreatic tissue, leading to complications and pain, which may require endoscopic interventions.ObjectiveOur aim was to determine the frequency of endoscopic procedures (EP) in CP patients and to analyse pain and quality of life (QoL) in these patients after their EP.MethodsThis study included 1327 CP patients from the Scandinavian Baltic Pancreatic Club (SBPC) database including four countries and eight centres. We analysed patients undergoing EPs and gathered information on the EP, pancreatic function, pain, disease and duration. The EORTC C‐30 QoL questionnaire was gathered prospectively and multivariable analysis was conducted on independent parameters between the groups. The reference population had no interventions (n = 870).Results260 CP patients (22%) underwent EPs, median one year (range 0–39 years) after CP diagnosis. 68% were males. The median age was 59 (20–90) years. Most common aetiological factors were alcohol in 65% and smoking in 71%. Extracorporeal shock wave lithotripsy (ESWL) was used in 6% of the CP population and in 21% of the EP group. Biliary duct stenting was performed on 37% and pancreatic stenting was performed on 56% of the patients. There was no difference in pain patterns between patients who had pancreatic stenting and the reference population. The EP group had slightly better QoL (p = 0.047), functioning and fewer symptoms than the reference population, in the multivariable analysis there was no interaction effect analysis between the groups. The pancreatic stent group had better QoL and the same amount of pain than the reference group. The patients who needed later surgery (23%) had more pain (p = 0.043) and fatigue (p = 0.021).ConclusionsOne in five of the CP patients underwent EP. These patients scored higher on QoL responses and had better symptom scores. CP patients who had pancreatic stenting performed had the same pain patterns as the reference population. Randomised prospective trials are needed to determine the effect of endoscopy procedures on CP patients.
Time Trends in Human Milk Derived from WHO- and UNEP-Coordinated Exposure Studies, Chapter 2: DDT, Beta-HCH and HCB
Authors: Malisch Rainer , Hardebusch Björn , Lippold Ralf , van Leeuwen F. X. Rolaf , Moy Gerald , Tritscher Angelika , Šebková Kateřina , Klánová Jana , Kalina Jiří 
Published: October 2023

AbstractTemporal trends of DDT (“DDT complex” as sum of p,p′-DDT, o,p′-DDT, p,p′-DDD and p,p′-DDE), beta-hexachlorocyclohexane (beta-HCH) and hexachlorobenzene (HCB) were assessed using pooled human milk samples from 44 countries from all United Nations Regional Groups based on their repeated participation in WHO/UNEP-coordinated exposure studies performed between 2000 and 2019. In contrast to a general estimation of time trends based on results from all countries, this is a more precise approach, because levels among countries are often highly variable. The primary objective of these temporal studies is to provide monitoring data for the effectiveness evaluation of the Stockholm Convention on Persistent Organic Pollutants (POPs).For DDT, an overall decrease over 10 years between 50% and 80% was achieved in Africa, the Asia-Pacific region and in Latin America and the Caribbean region, and at a global level. Slightly lower decreases were observed in European countries because DDT was banned much earlier in these countries and only residual levels were depleting. Western European countries had the lowest median and the lowest maximum DDT concentrations. This is an indication that the decrease might be faster in regions with higher concentrations, compared to a slower decrease in less contaminated regions. The frequency distribution of the country-specific decrease (decrease rate constants) confirms these findings.For beta-HCH, an overall decrease over 10 years between 50% and 98% was achieved in all UN regions and at a global level. Country-specific decreases vary in the low background range (below 5 μg beta-HCH/kg lipid). Regarding HCB, all countries from Africa and many countries from the Pacific Islands and Latin America and the Caribbean were in the range of a low background contamination below 5 μg/kg lipid resulting in a wide range of reduction rates. In contrast, in countries with HCB concentrations above 30 μg/kg lipid in previous rounds, overall decreases over 10 years between 50% and 85% were observed.Therefore, the reduction rates should be seen also in context with the concentration range: A differentiation of levels above or in the range of the background contamination seems to be advised. If high levels are found, sources might be detected which could be eliminated. However, at low background levels, other factors, e.g. contamination of feed and food by air via long-range transport and subsequent bioaccumulation, cannot be influenced locally.
WHO- and UNEP-Coordinated Exposure Studies 2000–2019: Findings of Polychlorinated Biphenyls, Polychlorinated Dibenzo-p-Dioxins, and Polychlorinated Dibenzofurans
Authors: Malisch Rainer , Schächtele Alexander , van Leeuwen F. X. Rolaf , Moy Gerald , Tritscher Angelika 
Published: October 2023

AbstractThe concentrations of polychlorinated biphenyls (PCB), polychlorinated dibenzo-p-dioxins (PCDD), and polychlorinated dibenzofurans (PCDF) were determined in 232 pooled human milk samples from 82 countries from all United Nations regions participating in five exposure studies coordinated by the World Health Organization (WHO) and the United Nations Environment Programme (UNEP) between 2000 and 2019.The highest concentrations of PCB were found in European countries. Countries of all other regions had considerably lower concentrations.The highest median concentrations of toxic equivalents (TEQ) of PCDD/PCDF and dioxin-like PCB (expressed as WHO2005-TEQ) were found in Eastern and Western European countries, the widest variation in Africa. The median concentrations and maximum levels in the Pacific region and countries from Latin America and the Caribbean were at the lower end of the distribution. However, also time trends have to be considered for this overall picture for a period of 20 years.
Extrapolation is Not the Same as Interpolation
Authors: Wang Yuxuan , King Ross D. 
Published: October 2023

AbstractWe propose a new machine learning formulation designed specifically for extrapolation. The textbook way to apply machine learning to drug design is to learn a univariate function that when a drug (structure) is input, the function outputs a real number (the activity): F(drug) → activity. The PubMed server lists around twenty thousand papers doing this. However, experience in real-world drug design suggests that this formulation of the drug design problem is not quite correct. Specifically, what one is really interested in is extrapolation: predicting the activity of new drugs with higher activity than any existing ones. Our new formulation for extrapolation is based around learning a bivariate function that predicts the difference in activities of two drugs: F(drug1, drug2) → signed difference in activity. This formulation is general and potentially suitable for problems to find samples with target values beyond the target value range of the training set. We applied the formulation to work with support vector machines (SVMs), random forests (RFs), and Gradient Boosting Machines (XGBs). We compared the formulation with standard regression on thousands of drug design datasets, and hundreds of gene expression datasets. The test set extrapolation metrics use the concept of classification metrics to count the identification of extraordinary examples (with greater values than the training set), and top-performing examples (within the top 10% of the whole dataset). On these metrics our pairwise formulation vastly outperformed standard regression for SVMs, RFs, and XGBs. We expect this success to extrapolate to other extrapolation problems.