bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermo‐responsive macroporous p(NIPAM) cryogel affords enhanced thermal stability and activity for ɑ‐glucosidase enzyme by entrapping in situ
Authors: Demirci Sahin , Sahiner Nurettin 
Published: January 2022

AbstractThe concept of using a macroporous thermo‐responsive poly(N‐isopropylacrylamide) (p(NIPAM)) polymer matrix for enzyme immobilization having lower critical solution temperature (LCST) is rationalized by the availability of the many compartments (pores) to entrap enzymes to operate within pores of three‐dimensional matrix providing special environmental conditions. Therefore, the ɑ‐glucosidase (ɑ‐G) immobilization within p(NIPAM) cryogel (ɑ‐G@p(NIPAM)) was carried out under the storage conditions of enzymes, generally ~ −20°C to afford the unnecessary loss of enzyme functionality in comparison to the other enzyme entrapment methods. The LCST value for the prepared p(NIPAM)‐based cryogels was determined as 34.8 ± 1.4°C. The immobilization yield, immobilization efficiency, and activity recovery% values were calculated as 89.4 ± 3.1, 66.2 ± 3.3, and 74.0% ± 3.3%, respectively, at pH 6.8 and 37°C for ɑ‐G@p(NIPAM) cryogel system. Interestingly, the optimum working conditions were attained as 25°C and pH 6.8 with higher activity, 98.4% ± 0.2% for the prepared ɑ‐G@p(NIPAM) cryogel system. The reuse and storage stability studies revealed that the prepared ɑ‐G@p(NIPAM) cryogel system is more effective than the native ɑ‐G enzyme; for example, it showed at least 80% activity after the fifth usage and provided higher activity up to a 10‐day room temperature storage time. Moreover, the kinetic parameters such as Km and Vmax of native ɑ‐G enzyme and ɑ‐G@p(NIPAM) cryogel system were calculated by non‐linear Lineweaver–Burk plot equations.
Dissipative Euler Flows for Vortex Sheet Initial Data without Distinguished Sign
Authors: Mengual Francisco , Székelyhidi László 
Published: January 2022

AbstractWe construct infinitely many admissible weak solutions to the 2D incompressible Euler equations for vortex sheet initial data. Our initial datum has vorticity concentrated on a simple closed curve in a suitable Hölder space and the vorticity may not have a distinguished sign. Our solutions are obtained by means of convex integration; they are smooth outside a “turbulence” zone which grows linearly in time around the vortex sheet. As a by‐product, this approach shows how the growth of the turbulence zone is controlled by the local energy inequality and measures the maximal initial dissipation rate in terms of the vortex sheet strength. © 2021 The Authors. Communications on Pure and Applied Mathematics published by Wiley Periodicals LLC.
Combining principal component and robust ridge estimators in linear regression model with multicollinearity and outlier
Authors: Arum Kingsley Chinedu , Ugwuowo Fidelis Ifeanyi 
Published: January 2022

AbstractThe method of least squared suffers a setback when there is multicollinearity and outliers in the linear regression model. In this article, we developed a new estimator to jointly handle multicollinearity and outliers by pooling the following estimators together: the M‐estimator, the principal component and the ridge estimator. The new estimator is called the robust r‐k estimator and is employed. We established theoretically that the new estimator is better than some of the existing ones. The simulation studies and real‐life application supports the efficiency of the new method.
Suppressing Residual Lead Iodide and Defects in Sequential‐Deposited Perovskite Solar Cell via Bidentate Potassium Dichloroacetate Ligand
Authors: Yang Yajuan , Liang Jianghu , Zhang Zhanfei , Tian Congcong , Wu Xueyun , Zheng Yiting , Huang Ying , Wang Jianli , Zhou Zhuang , He Maosheng , Chen Zhenhua , Chen Chun‐Chao 
Published: January 2022

AbstractIn sequential‐deposited polycrystalline perovskite solar cells, the unreacted lead iodide due to incomplete conversion of lead iodide to perovskite phase, can contribute to ionic defects, such as residual lead ions (Pb2+). At present, passivation of interfacial and grain boundary defects has become an effective strategy to suppress charge recombination. Here, we introduced potassium acetate (KAc) and potassium dichloroacetate (KAcCl2) as additives in the sequential deposition of polycrystalline perovskite thin films and found that acetate ions (Ac−) can effectively reduce the residual lead iodide. Compared with acetate (Ac), dichloroacetate (AcCl2) can form Pb−Cl and Pb−O bonding as “dual anchoring” bonds with residual Pb2+, resulting in strong binding force and effective passivation of residual Pb2+ defects. Furthermore, K+ can enlarge grain size and restrain ion migration at the grain boundaries. Consequently, perovskite solar cells with KAcCl2 additive show power conversion efficiencies (PCE) from 19.67 % to 22.12 %, with the open‐circuit voltage increasing from 1.06 V to 1.14 V. The unencapsulated device can maintain 82 % of the initial PCE under a humidity of 30±5 % for 1200 h. This work provides a new approach for the regulation of ionic defects and grain boundaries at the same time to develop high‐performance planar perovskite solar cells.
Aptasensors versus immunosensors—Which will prevail?
Authors: Arshavsky‐Graham Sofia , Heuer Christopher , Jiang Xin , Segal Ester 
Published: January 2022

AbstractSince the invention of the first biosensors 70 years ago, they have turned into valuable and versatile tools for various applications, ranging from disease diagnosis to environmental monitoring. Traditionally, antibodies have been employed as the capture probes in most biosensors, owing to their innate ability to bind their target with high affinity and specificity, and are still considered as the gold standard. Yet, the resulting immunosensors often suffer from considerable limitations, which are mainly ascribed to the antibody size, conjugation chemistry, stability, and costs. Over the past decade, aptamers have emerged as promising alternative capture probes presenting some advantages over existing constraints of immunosensors, as well as new biosensing concepts. Herein, we review the employment of antibodies and aptamers as capture probes in biosensing platforms, addressing the main aspects of biosensor design and mechanism. We also aim to compare both capture probe classes from theoretical and experimental perspectives. Yet, we highlight that such comparisons are not straightforward, and these two families of capture probes should not be necessarily perceived as competing but rather as complementary. We, thus, elaborate on their combined use in hybrid biosensing schemes benefiting from the advantages of each biorecognition element.
Human genetic risk of treatment with antiviral nucleoside analog drugs that induce lethal mutagenesis: the special case of molnupiravir
Authors: Waters Michael D. , Warren Stafford , Hughes Claude , Lewis Philip , Zhang Fengyu 
Published: January 2022

AbstractThis review considers antiviral nucleoside analog (NA) drugs, including ribavirin, favipiravir, and molnupiravir, which induce genome error catastrophe in SARS‐CoV or SARS‐CoV‐2 via lethal mutagenesis as a mode of action. In vitro data indicate that molnupiravir may be 100 times more potent as an antiviral agent than ribavirin or favipiravir. Molnupiravir has recently demonstrated efficacy in a phase 3 clinical trial. Because of its anticipated global use, its relative potency, and the reported in vitro “host” cell mutagenicity of its active principle, β‐d‐N4‐hydroxycytidine, we have reviewed the development of molnupiravir and its genotoxicity safety evaluation, as well as the genotoxicity profiles of three congeners, that is, ribavirin, favipiravir, and 5‐(2‐chloroethyl)‐2′‐deoxyuridine. We consider the potential genetic risks of molnupiravir on the basis of all available information and focus on the need for additional human genotoxicity data and follow‐up in patients treated with molnupiravir and similar drugs. Such human data are especially relevant for antiviral NAs that have the potential of permanently modifying the genomes of treated patients and/or causing human teratogenicity or embryotoxicity. We conclude that the results of preclinical genotoxicity studies and phase 1 human clinical safety, tolerability, and pharmacokinetics are critical components of drug safety assessments and sentinels of unanticipated adverse health effects. We provide our rationale for performing more thorough genotoxicity testing prior to and within phase 1 clinical trials, including human PIG‐A and error corrected next generation sequencing (duplex sequencing) studies in DNA and mitochondrial DNA of patients treated with antiviral NAs that induce genome error catastrophe via lethal mutagenesis.
Petrogenesis and geodynamic setting of the Late Jurassic Queshan adakitic granite, Jiaodong Peninsula, southeastern North China Craton: Zircon U–Pb geochronological, geochemical, and Lu–Hf isotopic evidence
Authors: Dang Zhi‐Cai , Li Jun‐Jian , Fu Chao , Tian Jie‐Peng , He Jiang‐Tao , Sun Zeng‐Bing , Tang Wen‐Long , Zhang Peng‐Peng 
Published: January 2022

Late Mesozoic granites are present throughout the Jiaodong Peninsula in eastern China, but the petrogenesis of these granites, the magma sources, and the geodynamic setting of the magmatism remain unclear. This paper presents new zircon U–Pb geochronological and Lu–Hf isotopic and whole‐rock geochemical data for the Late Jurassic Queshan pluton in the Shandong Peninsula, an area that represents the boundary between the Jiaobei and Sulu ultrahigh‐pressure (UHP) terranes. Laser ablation–inductively coupled plasma–mass spectrometry zircon U–Pb dating yields Late Jurassic ages from 158 ± 1 to 153 ± 1 Ma for the pluton in addition to a small number of inherited zircons that yield ages that cluster at 2410, 1831–1776, 750, and 209–202 Ma. Zircons from different samples have similar 176Hf/177Hf values (0.281926–0.282255) and variably negative εHf (t) values that range from −26.5 to −15.1 (weighted mean of −22.9 ± 0.9). The corresponding two‐stage Hf model ages range from 2,869 to 2,154 Ma, with a weighted mean value of 2,645 ± 54 Ma. These data indicate that the magmas that formed the Queshan pluton were derived from multiple sources, including the lower crust of the North China (NCC) and Yangtze (YC) cratons, as well as collision‐related alkaline rocks. The whole‐rock geochemical compositions of the samples indicate that the granites are weakly peraluminous, are high‐K and calc‐alkaline with I‐type affinities, and have high contents of Sr, low contents of Y and Yb, high (La/Yb)N and Sr/Y values, and positive Eu anomalies (δEu = 1.20–1.65), indicating an adakitic affinity. This indicates that the Queshan granites formed from magmas generated by partial melting of a thickened region of the crust (>50 km) associated with eclogite, garnet amphibolite, or amphibolite residual material. The genesis of the Late Jurassic granites are also likely to have been influenced by the collisional orogeny between the NCC and YC and continued subduction of the Izanagi Plate. Thickening of the lower crust associated with this continental collisional event occurred before the magmatism, with further compression and thickening of the lower crust caused by the low‐angle subduction of the Izanagi Plate beneath northeastern China being the main geodynamic driver of the formation of the granites in this region.
On‐going consequences of in utero exposure of Pb: An epigenetic perspective
Authors: Tasin Fahim Rejanur , Ahmed Asif , Halder Debasish , Mandal Chanchal 
Published: January 2022

AbstractEpigenetic modifications by toxic heavy metals are one of the intensively investigated fields of modern genomic research. Among a diverse group of heavy metals, lead (Pb) is an extensively distributed toxicant causing an immense number of abnormalities in the developing fetus via a wide variety of epigenetic changes. As a divalent cation, Pb can readily cross the placental membrane and the fetal blood brain barrier leading to far‐reaching alterations in DNA methylation patterns, histone protein modifications, and micro‐RNA expression. Over recent years, several human cohorts and animal model studies have documented hypermethylation and hypomethylation of developmental genes along with altered DNA methyl‐transferase expression by in utero Pb exposure in a dose‐, duration‐, and sex‐dependent manner. Modifications in the expression of specific histone acetyltransferase enzymes along with histone acetylation and methylation levels have been reported in rodent and murine models. Apart from these, down‐regulation and up‐regulation of certain microRNAs crucial for fetal development have been shown to be associated with in utero Pb exposure in human placenta samples. All these modifications in the developing fetus during the prenatal and perinatal stages reportedly caused severe abnormalities in early or adult age, such as impaired growth, obesity, autism, diabetes, cardiovascular diseases, risks of cancer development, and Alzheimer's disease. In this review, currently available information on Pb‐mediated alterations in the fetal epigenome is summarized. Further research on Pb‐induced epigenome modification will help to understand the mechanisms in detail and will enable us to formulate safety guidelines for pregnant women and developing children.
Sharing is not always caring: How sharing labels encourage personal consumption as a response to the threat of others
Authors: Williamson Sara , Lteif Lama , Valenzuela Ana 
Published: January 2022

AbstractIn recent years, some of the world's largest food manufacturers have begun labelling multi‐portion packages as meant for sharing with the expressed objective of encouraging more mindful food intake. Yet, despite the overwhelming adoption of this strategy in the marketplace, scientific literature remains scarce as to whether sharing labels can indeed achieve their intended objective. The current work fills this gap in the literature by demonstrating that sharing labels may ironically backfire as a self‐regulation tool. Specifically, four studies show that sharing labels generate a self‐interested urgency for consuming one's own portion of a resource before it is depleted by others, resulting in an increase (rather than a decrease) in personal food intake.
Vibration properties of immune‐oncological drugs
Authors: Tavares Ana Beatriz M.L.A. , Albuquerque Eudenilson L. 
Published: January 2022

AbstractInhibition of programmed cell death receptor‐1 (PD‐1) and its counterpart ligands PD‐L1 and PD‐L2 pathways by the US‐FDA's approved monoclonal antibodies pembrolizumab and nivolumab has delivered breakthrough therapies against a wide range of cancers, being an important issue for clinical research. Although many structural properties of these drugs have been unveiled, only few studies were focused on their vibrational features. To fill this gap, quantum chemistry calculations are employed to depict the binding energetic modes of these antibody drugs in order to obtain their vibrational properties through a Raman scattering spectroscopy. Detailed interpretation of their harmonic vibrational wavenumbers is also presented, mainly those in the range 2,750 to 3,750 (1,200 to 1,750) cm−1 for the oncological drug pembrolizumab (nivolumab). We believe that our theoretical/computational results may be a new viable technique for improving the cancer disease therapies.
Characterization of ultrafine zein fibers incorporated with broccoli, kale, and cauliflower extracts by electrospinning
Authors: Radünz Marjana , Mota Camargo Taiane , dos Santos Hackbart Helen Cristina , Paes Nunes Camila Francine , Araújo Ribeiro Jardel , da Rosa Zavareze Elessandra 
Published: January 2022

AbstractBACKGROUNDBroccoli, kale, and cauliflower contain phenolic compounds and glucosinolates, which have several biological effects on the body. However, because they are thermolabile, many of these substances are lost in the cooking process. Electrospinning encapsulation, using zein as a preservative wall material, can expand the applications of the compounds in the food and pharmaceutical industries. The objective of this research was to characterize broccoli, kale, and cauliflower extracts and encapsulate them with the electrospinning technique using zein.RESULTSBroccoli, kale, and cauliflower extracts contain five phenolic compounds and three glucosinolates. Fibers from broccoli, kale, and cauliflower showed high encapsulation efficiency, good thermal stability, and nanometric size, especially those containing extract and zein in proportions of up to 35:65.CONCLUSIONFibers from broccoli, kale, and cauliflower containing extract and zein in proportions of up to 35:65 have the potential for effective nutraceutical application for the control of non‐communicable chronic diseases or application in food packaging. © 2022 Society of Chemical Industry.
Investigation into creep‐to‐rupture of SIMP steel in stagnant LBE at 300–450°C
Authors: Liao Qing , Li Bingsheng , Ge Fangfang , Wang Renda , Zhang Hongpeng , Krsjak Vladimir , Sheng Yanbin 
Published: January 2022

AbstractFerritic/martensitic steel was chosen as a primary candidate structural material for China Initiative Accelerator Driven System (CiADS) which started in 2015. A new kind of tempered martensitic steel, Steel of Institute of Modern Physics (SIMP), was designed to meet the requirements of the special operating environment. Structural materials suffer from liquid Pb‐Bi corrosion and liquid metal wetting at 450°C. Liquid metal wetting can seriously affect the mechanical properties of structural materials due to the decrease in surface energy and transition from martensitic laths to ferritic grains. Creep‐to‐rupture of SIMP steel was explored in stagnant liquid Pb‐Bi eutectic at 450°C. The possible reasons for creep‐to‐rupture are discussed. The results of the present study provide a new insight into challenges related to the application of SIMP steel in CiADS.
Printable Graphene Oxide Nanocomposites as Versatile Platforms for Immobilization of Functional Biomolecules
Authors: de León Alberto S. , de la Mata María , Delgado Francisco J. , Molina Sergio I. 
Published: January 2022

AbstractA series of novel nanocomposites containing graphene oxide (GO) suitable for stereolithography is presented. Different loads of GO are tested, identifying that these materials can be printed with concentrations up to 2.5 wt% GO, presenting improved mechanical properties for concentrations below 1.0 wt% GO. In this range, the nanocomposites exhibit higher strength and toughness when compared to the pristine resin. Microscopic analyses of the material demonstrate that this can be correlated with the good compatibility of GO with the resin, which favors its homogeneous dispersion in the form of flexible nanoplates. After manufacturing, the availability of GO to participate in surface modification reactions with chitosan (CHI) and an alkaline phosphatase (ALP) is evaluated. CHI and ALP are well‐known to act as biological cues in biorecognition processes, evidencing that these nanocomposites are suitable as platforms for selective immobilization of functional biomolecules.
Neuroimaging Pearls from theMDSCongress Video Challenge. Part 1: Genetic Disorders
Authors: Olszewska Diana A. , Rawal Sapna , Fearon Conor , Alcaide‐Leon Paula , Stell Rick , Paramanandan Vijayashankar , Lynch Tim , Jawad Tania , Vittal Padmaja , Barton Brandon , Miyajima Hiroaki , Kono Satoshi , Kandadai Rukmini Mridula , Borgohain Rupam , Lang Anthony E. 
Published: January 2022

AbstractWe selected several “imaging pearls” presented during the Movement Disorder Society (MDS) Video Challenge for this review. While the event, as implicated by its name, was video‐centered, we would like to emphasize the important role of imaging in making the correct diagnosis. We divided this anthology into two parts: genetic and acquired disorders. Genetic cases described herein were organized by the inheritance pattern and the focus was put on the imaging findings and differential diagnoses. Despite the overlapping phenotypes, certain described disorders have pathognomonic MRI brain findings that would provide either the “spot” diagnosis or result in further investigations leading to the diagnosis. Despite this, the diagnosis is often challenging with a broad differential diagnosis, and hallmark findings may be present for only a limited time.
Stereoelectronic interactions: A booster for 4JHF transmission
Authors: Soares João Vitor , Dal Poggetto Guilherme , Viesser Renan V. , Couto Uenifer R. , Tormena Cláudio F. 
Published: January 2022

AbstractLong‐range proton‐fluorine coupling constants (nJHF) are helpful for the structure elucidation of fluorinated molecules. However, their magnitude and sign can change with the relative position of coupled nuclei and the presence of substituents. Here, trans‐4‐tert‐butyl‐2‐fluorocyclohexanone was used as a model compound for the study of the transmission of 4JHF. In this compound, the 4JH6axF was measured to be +5.1 Hz, which is five times larger than the remaining 4JHF in the same molecule (4JH4F = +1.0 Hz and 4JH6eqF = +1.0 Hz). Through a combination of experimental data, natural bond orbital (NBO) and natural J‐coupling (NJC) analyses, we observed that stereoelectronic interactions involving the π system of the carbonyl group are involved in the transmission pathway for the 4JH6axF. Interactions containing the π system as an electron acceptor (e.g., σC6H6ax → π*C═O and σCF → π*C═O) increase the value of the 4JH6axF, while the interaction of the π system as an electron donor (e.g., πC═O → σ*CF) decreases it. Additionally, the carbonyl group was shown not to be part of the transmission pathway of the diequatorial 4JH6eqF coupling in cis‐4‐tert‐butyl‐2‐fluorocyclohexanone, revealing that there is a crucial symmetry requirement that must be fulfilled for the π system to influence the value of the 4JHF in these systems.
BMI in early adulthood is associated with severe COVID‐19 later in life: A prospective cohort study of 1.5 million Swedish men
Authors: Robertson Josefina , Adiels Martin , Lissner Lauren , Mehlig Kirsten , af Geijerstam Agnes , Lindgren Martin , Gisslén Magnus , Ekblom Bak Elin , Rosengren Annika , Åberg Maria 
Published: January 2022

AbstractObjectiveOverweight and obesity have been identified as risk factors for severe COVID‐19; however, prospective cohort studies investigating the association between overweight early in life and severity of COVID‐19 are lacking.MethodsThis study included 1,551,670 Swedish men, born between 1950 and 1987, with BMI registered at age 18 years. They were followed until January 9, 2021. COVID‐19 cases and comorbidities were identified through the National Patient, Intensive Care, and Cause of Death registries. Outcomes included the following: 1) hospitalization; 2) intensive care unit admission; and 3) death.ResultsThe study found 4,315 cases (mean age = 56.4 years [SD 8.8]) of patients hospitalized because of COVID‐19, of which 729 were admitted to an intensive care unit, and altogether there were 224 deaths. The risk for hospital admission increased with higher values of BMI at age 18 years, despite adjustment for comorbidities, from an odds ratio (OR) of 1.19 (95% CI: 1.08‐1.31) at BMI = 22.5 to 25 to an OR of 1.68 (95% CI: 1.39‐2.02) at BMI ≥ 30, compared with BMI = 18.5 to 20. ORs for intensive care unit admission were 1.44 (95% CI: 1.13‐1.84) at BMI = 22.5 to 25 and 2.61 (95% CI: 1.73‐3.93) at BMI ≥ 30.ConclusionsHigher BMI in early adulthood was associated with severe COVID‐19 many years later, with a risk increase starting already at BMI ≥ 22.5. This underlines the necessity of preventive actions against overweight in youth to offer protection against coming viral pandemics.