bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lessons from the first year of compliance sampling under Michigan's revised Lead and Copper Rule and national Lead and Copper Rule implications
Authors: Betanzo Elin , Rhyan Corwin , Hanna‐Attisha Mona 
Published: December 2021

AbstractIn 2018, Michigan revised its Lead and Copper Rule (LCR) compliance sampling requirements to better represent the potential lead contribution from lead service lines (LSLs). The first year of sampling results under the new requirements were analyzed to determine their impact on lead sampling results. The dataset reveals statistically significant higher detected lead levels, both at individual sample sites and in some water system 90th percentiles. Michigan's LCR results reveal the percentage of public water systems with LSLs exceeding the lead action level (15 ppb) increasing to 13% compared to 2% under the previous sampling protocol. Michigan's experience demonstrates that solely collecting first‐liter data, consistent with current LCR requirements, is inadequate for detecting the higher range of lead concentrations commonly found in LSL samples. As the 2021 EPA LCR revision includes fifth‐liter and removes first‐liter compliance sampling, Michigan's lessons portend national implications. This paper evaluates Michigan's novel 2019 LCR results, compares the results to previous sampling periods, and shares lessons learned for timely national policy decisions.
Human genome‐wide analysis and identification of the hyperphosphorylation‐elicited interactions between subarachnoid tau protein and phosphoprotein‐binding domains
Authors: Shi Jianyun , Peng Taolue , Hu Jinbo , Shao Hong 
Published: December 2021

AbstractAbnormally hyperphosphorylated tau can be recognized by a variety of phosphoprotein‐binding domains (PBDs) to elicit downstream tau signaling in neuropathology, which has been found to have a potential association with subarachnoid hemorrhage. In this study, the genome‐wide binding behavior of tau phosphorylation sites (p‐sites) to PBDs involved in subarachnoid hyperphosphorylation events was systematically profiled at molecular level by integrating peptide docking, structural minimization, affinity scoring, and binding assay, from which a number of potent PBD–p‐site interaction pairs were identified. It was revealed that the PBD domains exhibit distinct binding preferences for phosphotyrosine, phosphoserine, and phosphothreonine p‐sites; the PBD‐recognition specificity of different tau p‐sites is not overlapped with each other, and their phosphorylations would therefore regulate varying biological functions in tau signaling. A number of PBD–p‐site pairs were identified to have potent binding potency as compared to others. The KCIP–pS[393–399] pair was found as a strong binder, which was further optimized with a rational peptide design protocol to derive a number of affinity‐improved phosphopeptides. Structural analysis revealed diverse noncovalent chemical forces across the complex interface of KCIP domain with a designed high‐affinity pS[393–399]‐d4, which confers both stability and specificity to the domain–peptide complex system, with affinity improved by 10.9‐fold relative to the native pS[393–399].
Improved risk prediction of chemotherapy‐induced neutropenia—model development and validation with real‐world data
Authors: Venäläinen Mikko S. , Heervä Eetu , Hirvonen Outi , Saraei Sohrab , Suomi Tomi , Mikkola Toni , Bärlund Maarit , Jyrkkiö Sirkku , Laitinen Tarja , Elo Laura L. 
Published: December 2021

AbstractBackgroundThe existing risk prediction models for chemotherapy‐induced febrile neutropenia (FN) do not necessarily apply to real‐life patients in different healthcare systems and the external validation of these models are often lacking. Our study evaluates whether a machine learning‐based risk prediction model could outperform the previously introduced models, especially when validated against real‐world patient data from another institution not used for model training.MethodsUsing Turku University Hospital electronic medical records, we identified all patients who received chemotherapy for non‐hematological cancer between the years 2010 and 2017 (N = 5879). An experimental surrogate endpoint was first‐cycle neutropenic infection (NI), defined as grade IV neutropenia with serum C‐reactive protein >10 mg/l. For predicting the risk of NI, a penalized regression model (Lasso) was developed. The model was externally validated in an independent dataset (N = 4594) from Tampere University Hospital.ResultsLasso model accurately predicted NI risk with good accuracy (AUROC 0.84). In the validation cohort, the Lasso model outperformed two previously introduced, widely approved models, with AUROC 0.75. The variables selected by Lasso included granulocyte colony‐stimulating factor (G‐CSF) use, cancer type, pre‐treatment neutrophil and thrombocyte count, intravenous treatment regimen, and the planned dose intensity. The same model predicted also FN, with AUROC 0.77, supporting the validity of NI as an endpoint.ConclusionsOur study demonstrates that real‐world NI risk prediction can be improved with machine learning and that every difference in patient or treatment characteristics can have a significant impact on model performance. Here we outline a novel, externally validated approach which may hold potential to facilitate more targeted use of G‐CSFs in the future.
Tailoring Activated Carbon Properties for Pb(II) and Cr(VI) Removal from Water in Continuous Mode
Authors: Boustila Houda , Boutillara Yasmine , Velasco Leticia Fernandez , Djellali Ali , Tazibet Sana 
Published: December 2021

AbstractDynamic adsorption of Cr(VI) and Pb(II) in single and binary mixture solutions at different pH values (2 and 6) was studied on activated carbons obtained by chemical activation of olive stones with different agents. The activated carbons exhibited large surface areas with diverse pore size distributions and surface chemistry. The adsorption tests, performed in continuous mode, revealed the existence of different adsorption sites for Pb(II) and Cr(VI). Besides, they emphasized the significant role of the pH, both of the medium and of the carbon surface, in the adsorption of Cr(VI). That is, an acidic medium favors the retention of Cr(VI) on activated carbon having a surface pH around 2 whereas an activated carbon with a more neutral surface shows high efficiency for binary mixtures at high contaminant concentrations for solulions at pH 6.
Effect of Hydrothermal Treatment on the Properties of Calcium Oxide from Eggshells Used as a Biodiesel Catalyst
Authors: Fasanya Opeoluwa O. , Gbadamasi Sharafadeen , Osigbesan Aishat A. , Ahmed Omar Umar , Isa Abdulazeez R. , Ozogu Agbe N. , Hayatudeen Aminu , Yusuf Abubakar I. , Gano Zaharaddeen Sani 
Published: December 2021

AbstractThe utilization of waste cooking oil (WCO) and bleached palm oil (BPO) for the production of biodiesel in the presence of hydrothermally treated calcium oxide (CaO) derived from waste chicken eggshells was investigated. Waste chicken eggshells were calcined at 850 °C and then hydrothermally treated at 120 and 140 °C to produce two sets of CaO catalysts. Hydrothermal treatment of the catalysts resulted in a decrease of the crystallite size from 47 to 30 and 28 nm at temperatures of 120 and 140 °C. The catalytic performance of the CaO catalysts was evaluated with WCO and BPO, respectively. WCO gave biodiesel yields of 82.7 and 83.1 % for CaO catalysts aged at 120 and 140 °C respectively. BPO gave 79.4 and 79.6 % yields, respectively, for the same set of catalysts.
Effect of Neutralization of the Grinding Aid in the Production of Fine CaCO3 Slurries
Authors: Jacquemet Christian 
Published: December 2021

AbstractThe most commonly used additive in wet grinding of calcium carbonate is a low‐polydispersity‐index sodium polyacrylate with an optimized molecular weight. A similar polyacrylate was tested under different Na‐Ca and Na‐Mg neutralization states. Results of the grinding experiments revealed logarithmic relations between the weight percentage of fine particles and specific energy consumption (SEC). Power‐law functions were established between the median size and SEC. A steady increase of SEC occurred with r = M2+/CO2−. This energy increment with r is greater when the grinding aid is a Na‐Ca‐neutralized polyacrylate. Moreover, the quantities of non‐adsorbed dispersant in the ground calcium carbonate suspensions after grinding decline with r and are not dependent on the nature of M2+.
Influence of the Anions on the Interaction Energy between Water and Ionic Liquids
Authors: Zheng Chaolun , Shen Ziyang , Zhou Jian , Pei Yong , Yang Bao 
Published: December 2021

AbstractIt is essential to understand the interaction energy between water and ionic liquids (ILs) in search of ILs for dehumidification applications. In this paper, the intermolecular interaction energy between water and 1‐ethyl‐3‐methylimidazolium ([EMIM])‐based ILs was investigated. The vapor‐liquid equilibrium data were first measured for solutions of [EMIM][BF4], [EMIM][N(CN)2], [EMIM][CF3SO3], and [EMIM][CH3SO3] with water molar fractions of 8–95 % at temperatures of 303–343 K. The IL‐IL and water‐IL intermolecular interaction energies were determined by using the correlated non‐random two‐liquid model. The results revealed that fluorine atoms in anions reduce the attraction energy between IL and water, and thus, decrease the water affinity.
Synthesis of Free‐Standing Alloyed PdSn Nanoparticles with Enhanced Catalytic Performance for Ethanol Electrooxidation
Authors: Zhang Ben , Zhang Xingxue , Yan Jie , Cao Zhengshuai , Pang Mingyuan , Chen Jianyu , Zang Lei , Guo Peizhi 
Published: December 2021

AbstractAlloyed Pd‐based nanostructured materials have been demonstrated as highly active fuel cell anode electrocatalysts for the alcohol oxidation reaction. Challenges remain in the controlled synthesis of freestanding PdM alloys catalysts through optimization of their interfacial and surface structures, which can prevent degradation and poor durability. Herein, we present an oil‐bath‐based approach to synthesize PdxSny nanoparticles (NPs) with L‐ascorbic acid (AA) as a reducing agent and cetyltrimethylammonium bromide as a structure‐directing agent. PdxSny NPs (x/y=0.66, 0.83, and 1.11) show a particular freestanding shape. Among the three alloys, Pd20Sn24 (x/y=0.83) NPs have the best electrocatalytic activity (2018 mA mg−1) toward the ethanol oxidation reaction (EOR). The enhanced performance of PdxSny NPs might be attributed to i) a change in the electron structure of Pd, ii) varied interatomic distance within a unit cell, and iii) weak adsorption of in‐situ generated oxygen‐containing (e. g. *OH and Pd−O) or carbon‐containing (e. g. *CH3CHOH, *CH3CHO, and *CH3CO) intermediate species. Experimental data proposed that higher catalytic temperature, higher pH values, and higher ethanol concentration should accelerate each step of electrooxidation of the EOR.
Expanding the Scope of Polyoxometalates as Artificial Proteases towards Hydrolysis of Insoluble Proteins
Authors: Savić Nada D. , Salazar Marcano David E. , Parac‐Vogt Tatjana N. 
Published: December 2021

AbstractDespite the enormous importance of insoluble proteins in biological processes, their structural investigation remains a challenging task. The development of artificial enzyme‐like catalysts would greatly facilitate the elucidation of their structure since currently used enzymes in proteomics largely lose activity in the presence of surfactants, which are necessary to solubilize insoluble proteins. In this study, the hydrolysis of a fully insoluble protein by polyoxometalate complexes as artificial proteases in surfactant solutions is reported for the first time. The hydrolysis of zein as a model protein was investigated in the presence of Zr(IV) and Hf(IV) substituted Keggin‐type polyoxometalates (POMs), (Et2NH2)10[M(α‐PW11O39)2] (M = Zr or Hf), and different concentrations of the anionic surfactant sodium dodecyl sulfate (SDS). Selective hydrolysis of the protein upon incubation with the catalyst was observed, and the results indicate that the hydrolytic selectivity and activity of the POM catalysts strongly depends on the concentration of surfactant. The molecular interactions between the POM catalyst and zein in the presence of SDS were explored using a combination of spectroscopic techniques which indicated competitive binding between POM and SDS towards the protein. Furthermore, the formation of micellar superstructures in ternary POM/surfactant/protein solutions has been confirmed by conductivity and Dynamic Light Scattering measurements.
Ambient Spray Coating of Organic‐Inorganic Composite Thin Films for Perovskite Solar Cell Encapsulation
Authors: Luo Zhide , Zhang Cuiping , Yang Li , Zhang Jinbao 
Published: December 2021

AbstractPerovskite solar cells (PSCs) are developing rapidly in recent years, showing remarkable power conversion efficiency (PCE) of 25 %, which is comparable to crystalline silicon solar cells. However, since perovskite and other functional layers are very sensitive to the environment with high humidity, illumination, and heat, PSCs meet great challenges in device stability, which significantly limit their industrialization and commercialization. Encapsulation has become an effective strategy to enhance the stability of PSCs, and various encapsulation techniques have been developed, such as atomic layer deposition and glass‐glass technology. Most of the current encapsulating methods are either time‐consuming and sophisticated processes, or exhibit rigid configuration, which is unsuitable for flexible and curved devices. Here, an ambient spray coating method was developed to fabricate organic‐inorganic composite film for direct encapsulation of PSCs. By systematical optimization of the film composition, thickness, and microstructures, a superhydrophobic encapsulating thin film with high compactness and homogeneity was achieved. As a result, the hybrid encapsulating film with polystyrene (PS)‐4033/PS‐4033‐SiO2 significantly improved the stability of PSCs in humid environment (60–70 % relative humidity, 35 °C) by showing about 10 times longer lifetime than that of the unencapsulated devices, which was mainly attributed to complementary effects from the high compactness of PS and high hydrophobicity of SiO2. This work suggests that direct deposition of organic‐inorganic composite on devices as encapsulating films is an efficient strategy to enhance the device stability, and this method shows great promises of application in flexible and large‐area devices.
Regioselective C4 and C6 Double Oxidation of Cellulose by Lytic Polysaccharide Monooxygenases
Authors: Sun Peicheng , Laurent Christophe V. F. P. , Boerkamp Vincent J. P. , van Erven Gijs , Ludwig Roland , van Berkel Willem J. H. , Kabel Mirjam A. 
Published: December 2021

AbstractLytic polysaccharide monooxygenases (LPMOs) play a key role in enzymatic degradation of hard‐to‐convert polysaccharides, such as chitin and cellulose. It is widely accepted that LPMOs catalyze a single regioselective oxidation of the C1 or C4 carbon of a glycosidic linkage, after which the destabilized linkage breaks. Here, a series of novel C4/C6 double oxidized cello‐oligosaccharides was discovered. Products were characterized, aided by sodium borodeuteride reduction and hydrophilic interaction chromatography coupled to mass spectrometric analysis. The C4/C6 double oxidized products were generated by C4 and C1/C4 oxidizing LPMOs, but not by C1 oxidizing ones. By performing incubation and reduction in H218O, it was confirmed that the C6 gem‐diol structure resulted from oxygenation, although oxidation to a C6 aldehyde, followed by hydration to the C6 gem‐diol, could not be excluded. These findings can be extended to how the reactive LPMO‐cosubstrate complex is positioned towards the substrate.
A survey of step length estimation models based on inertial sensors for indoor navigation systems
Authors: Soni Rakesh , Trapasiya Samir 
Published: December 2021

SummaryIn many applications (i.e., navigation of vehicles in traffic, museum guide, guidance to firefighters in poor visibility, and elderly care assistance systems), location‐based services (LBS) rely on the global positioning system (GPS) for accurate positioning. LBS can be challenging to employ in an indoor environment because of the lack of a line‐of‐sight (LOS) component and other signal propagation issues. Over the last decade, researchers worldwide have been motivated to solve the problem of continuous indoor positioning in situations when GPS is ineffective. We thoroughly reviewed research conducted by many scholars and compiled this survey article, which provides a comprehensive overview of indoor pedestrian navigation systems, prevalent step length estimation models, and the current state of the art. There are two key strategies in which substantial work on indoor localization is carried out. One is a dead reckoning in which the present location of the pedestrian is calculated based on details about previous location, and the other is an inertial navigation system in which the forward acceleration from an inertial sensor strapped down to the user's body is integrated twice to establish the current location. The step length is a crucial component of the inertial sensor‐based navigation in both these strategies. For different users, step length is variable and also changes at different walking speeds for each user. As a result, the focus of this survey is on step length estimation models. The survey describes and compares various approaches to estimating step length from various perspectives, including the research method used, the length of the test path, various walking speeds, the location of the sensor device on the user's body, and the accuracy achieved in estimating step length. Because inertial sensors are embedded in smartphones, it is vital to identify the smartphone mode (i.e., phoning, texting, or pocket) during each step taken while using smartphone‐based indoor navigation. The report concludes with a quantitative evaluation of the performance of smartphone mode recognition modules. At the end, we list out challenges still to be addressed for scholars working on indoor navigation.
Novel strategies to oral delivery of insulin: Current progress of nanocarriers for diabetes management
Authors: Abdel‐Moneim Adel , Ramadan Hanaa 
Published: December 2021

AbstractDiabetes mellitus is one of the most serious public health problems in the world. Repeated daily injections of subcutaneous insulin is the standard treatment for patients with type 1 diabetes mellitus; however, subcutaneous insulin injections can potentially cause local discomfort, patient noncompliance, hypoglycemia, failure to regulate glucose homeostasis, infections, and fat deposits at the injection sites. In recent years, numerous attempts have been made to produce safe and efficient nanoparticles for oral insulin delivery. Oral administration is considered the most effective alternative route to insulin injection, but it is accompanied by several challenges related to enzymatic proteolysis, digestive breakdown, and absorption barriers. A number of natural and synthetic polymeric, lipid‐based, and inorganic nanoparticles have been investigated for use. Although improvements have recently been made in potential oral insulin delivery systems, these require further investigation before clinical trials are conducted. In this review, new approaches to oral insulin delivery for diabetes treatment are discussed, including polymeric, lipid‐based, and inorganic nanoparticles, as well as the clinical trials performed for this purpose.
Phylogeography of the Japanese greater horseshoe bat Rhinolophus nippon (Mammalia: Chiroptera) in Northeast Asia: New insight into the monophyly of the Japanese populations
Authors: Ikeda Yugo , Motokawa Masaharu 
Published: December 2021

AbstractThe Japanese greater horseshoe bat (Rhinolophus nippon) is distributed widely in East Asia. Within the species, R. nippon in Northeast Asia is regarded as the lineage that diverged most recently. However, the monophyly of the Japanese populations is unclear due to insufficient data about phylogenetic relationship of the western Japanese populations. To test the monophyly of the Japanese populations of R. nippon, we sampled R. nippon from western Japan and performed a phylogeographic analysis based on mitochondrial DNA cytochrome b and the D‐loop. The Northeast Asian lineage consisted of three main clades in eastern Japan (clade I), western Japan (clade II), and the continent as well as the Kumamoto population in westernmost Japan (clade III). The results of this study do not support the monophyly of the Japanese population. The findings suggest the “reverse colonization” of R. nippon from the Japanese Archipelago to the Eurasian continent, and provide important insight into the role of the island system in creation and supply of diversity to the continent.
Above‐ and below‐ground biodiversity responses to the prolonged flood pulse in central‐western Amazonia, Brazil
Authors: Bredin Yennie K. , Hess Laura L. , Scabin Andressa B. , Dunthorn Micah , Haugaasen Torbjørn , Peres Carlos A. , Nilsson Henrik R. , Antonelli Alexandre , Ritter Camila D. 
Published: December 2021

AbstractAmazonia encompasses extensive forests in areas that are periodically inundated by overflowing rivers. The inundation depth and duration vary according to the slope of the terrain and distance to major water bodies. This creates a flooding gradient from the lowest lying seasonally flooded forest up into the unflooded forest, which directly affects the biota. However, the effect of this gradient on soil organisms remains elusive. Here, we use DNA metabarcoding to estimate prokaryote and eukaryote diversity from soil and litter samples along the flooding gradient in central‐western Amazonia using 16S and 18S gene sequences, respectively. We characterize the below‐ground diversity and community composition based on amplicon sequence variants (ASVs). We examine relationships between the soil biota and the flooding gradient, soil properties, and above‐ground woody plant diversity. The flooding gradient does not explain below‐ground biodiversity, nor is below‐ground diversity explained by the above‐ground woody plant diversity. We uncover several taxonomic groups—such as Patescibacteria—not previously reported from Amazonian seasonally flooded forests. The flooding gradient and woody plant diversity partly explain the community composition of soil bacteria. Although the effects of the flooding gradient, soil properties, and above‐ground woody plant diversity are difficult to quantify, our results indicate that flood stress may influence below‐ground bacterial community composition.
Synthesis, Structure and Cu‐Phenylacetylide Coordination of an Unsymmetrically Substituted Bulky dppf‐Analog
Authors: Dey Subhayan , Roesler Fabian , Höfler Mark V. , Bruhn Clemens , Gutmann Torsten , Pietschnig Rudolf 
Published: December 2021

AbstractThe donor properties of a set of bulky ferrocene based bisphosphanes (Fe(C5H4PMes2)2 and (C5H4PMes2)Fe(C5H4PtBu2 with Mes= mesityl and tBu=tert‐butyl) were probed by exploring the NMR parameters of the corresponding selenophosphoranes amended by cyclovoltammetry. The ligand properties were explored in the complexation of copper phenylacetylide which is relevant as intermediate in the Cu(I) catalyzed CO2 addition to phenylacetylene. Owing to the poor solubility of the resulting complexes their characterization was performed with solid state NMR spectroscopy amended by IR spectroscopy, mass spectrometry and elemental analysis. Remarkably, these complexes feature luminescent properties, albeit with limited quantum yield.