bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhancing magnetic hyperthermia in ferrite nanoparticles through shape anisotropy and surface hybridization
Authors: Jiménez Gloria L. , Thevi Guntnur Rohini , Guiliani Jason , Romero Gabriela 
Published: September 2021

AbstractMagnetic hyperthermia has been studied for the past two decades in cancer treatments as the local heat generated by magnetic nanoparticles under applied alternating magnetic fields is sufficient to kill cancer cells. More recently, it has been explored for controlling biological signaling through heat‐sensitive transmembrane channels. It is of great interest to produce magnetic nanoparticles with high heat transducing efficiency to minimize potential off‐target heating effects. Here, we describe shape anisotropy and particle hybridization as possible routes to augment magnetic hyperthermia in ferrite nanoparticles. Zinc substituted magnetite core and core‐shell cubic nanoparticles with different sizes were synthetized. It was found that nanoparticles shape and composition are altered from cubic to flower‐like, and to a more franklinite rich phase as size increased. Hybridization with a cobalt shell allowed to enhance nanoparticle magnetic coercivity and specific power loss. The optimized core‐shell nanoparticles were tested to induce cellular activity in hippocampal neurons.TOPICAL HEADINGInorganic Materials: Synthesis and Processing.
Rates of longitudinal change in 18F‐flortaucipir PET vary by brain region, cognitive impairment, and age in atypical Alzheimer's disease
Authors: Phillips Jeffrey S. , Nitchie Frederick J. , Da Re Fulvio , Olm Christopher A. , Cook Philip A. , McMillan Corey T. , Irwin David J. , Gee James C. , Dubroff Jacob G. , Grossman Murray , Nasrallah Ilya M. ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: September 2021

AbstractIntroductionLongitudinal positron emission tomography (PET) studies of tau accumulation in Alzheimer's disease (AD) have noted reduced increases or frank decreases in tau signal. We investigated how such reductions related to analytical confounds and disease progression markers in atypical AD.MethodsWe assessed regional and interindividual variation in longitudinal change on 18F‐flortaucipir PET imaging in 24 amyloid beta (Aβ)+ patients with atypical, early‐onset amnestic or non‐amnestic AD plus 62 Aβ– and 132 Aβ+ Alzheimer's Disease Neuroimaging Initiative (ADNI) participants.ResultsIn atypical AD, 18F‐flortaucipir uptake slowed or declined over time in areas with high baseline signal and older, more impaired individuals. ADNI participants had reduced longitudinal change in early Braak stage regions relative to late‐stage areas.DiscussionResults suggested radioligand uptake plateaus or declines in advanced neurodegeneration. Further research should investigate whether results generalize to other radioligands and whether they relate to changes of the radioligand binding site structure or accessibility.
Mechanism of the Photodegradation of A‐D‐A Acceptors for Organic Photovoltaics**
Authors: Che Yuxuan , Niazi Muhammad Rizwan , Izquierdo Ricardo , Perepichka Dmitrii F. 
Published: September 2021

AbstractHerein, we elucidate the photodegradation pathway of A‐D‐A‐type non‐fullerene acceptors for organic photovoltaics. Using IT‐4F as a benchmark example, we isolated the photoproducts and proved them isomers of IT‐4F formed by a 6‐e electrocyclic reaction between the dicyanomethylene unit and the thiophene ring, followed by a 1,5‐sigmatropic hydride shift. This photoisomerization was accelerated under inert conditions, as explained by DFT calculations predicting a triplet‐mediated reaction path (quenchable by oxygen). Adding controlled amounts of the photoproduct P1 to PM6:IT‐4F bulk heterojunction cells led to a progressive decrease in photocurrent and fill factor attributed to its poor absorption and charge transport properties. The reaction is a general photodegradation pathway for a series of A‐D‐A molecules with 1,1‐dicyanomethylene‐3‐indanone termini, and its rate varies with the structure of the donor and acceptor moiety.
Palladium‐Catalyzed Perfluoroalkylative Carbonylation of Unactivated Alkenes: Access to β‐Perfluoroalkyl Esters
Authors: Zhang Youcan , Geng Hui‐Qing , Wu Xiao‐Feng 
Published: September 2021

AbstractTransition‐metal‐catalyzed multi‐component carbonylation represents an efficient strategy for the preparation of various functionalized carbonyl‐containing compounds. Herein, we report a general palladium‐catalyzed perfluoroalkylative carbonylation of unactivated alkenes using inexpensive and readily available carbon monoxide as the C1 source and perfluoroalkyl halides as the coupling partner. A wide range of phenols and alcohols were transformed into the corresponding β‐perfluoroalkyl esters in high yields with broad functional group tolerance and good chemoselectivity. Additionally, alkyl halides can be utilized as alkoxy source as well to give the desired esters. Moreover, several pharmaceutical and bio‐active molecules were also suitable substrates for this one‐pot multi‐component carbonylation process to give the targeted products in good yields.
Bayesian Optimization of High‐Entropy Alloy Compositions for Electrocatalytic Oxygen Reduction**
Authors: Pedersen Jack K. , Clausen Christian M. , Krysiak Olga A. , Xiao Bin , Batchelor Thomas A. A. , Löffler Tobias , Mints Vladislav A. , Banko Lars , Arenz Matthias , Savan Alan , Schuhmann Wolfgang , Ludwig Alfred , Rossmeisl Jan 
Published: September 2021

AbstractActive, selective and stable catalysts are imperative for sustainable energy conversion, and engineering materials with such properties are highly desired. High‐entropy alloys (HEAs) offer a vast compositional space for tuning such properties. Too vast, however, to traverse without the proper tools. Here, we report the use of Bayesian optimization on a model based on density functional theory (DFT) to predict the most active compositions for the electrochemical oxygen reduction reaction (ORR) with the least possible number of sampled compositions for the two HEAs Ag‐Ir‐Pd‐Pt‐Ru and Ir‐Pd‐Pt‐Rh‐Ru. The discovered optima are then scrutinized with DFT and subjected to experimental validation where optimal catalytic activities are verified for Ag–Pd, Ir–Pt, and Pd–Ru binary alloys. This study offers insight into the number of experiments needed for optimizing the vast compositional space of multimetallic alloys which has been determined to be on the order of 50 for ORR on these HEAs.
A Phase Inversion‐Based Microfluidic Fabrication of Helical Microfibers towards Versatile Artificial Abdominal Skin
Authors: Liu Ji‐Dong , Du Xiang‐Yun , Chen Su 
Published: September 2021

AbstractMicrofluidic spinning technology (MST), incorporating microfluidics with chemical reactions, has gained considerable interest for constructing anisotropic advanced microfibers, especially helical microfibers. However, these efforts suffer from the limited material choices, restricting their applications. Here, a new phase inversion‐based microfluidic spinning (PIMS) method is proposed for producing helical microfibers. This method undergoes a physicochemical phase inversion process, which is capable of efficiently manufacturing strong (tensile stress of more than 25 MPa), stretchable, flexible and biocompatible helical microfibers. The helical microfibers can be used to fabricate bi‐oriented stretchable artificial abdominal skin, preventing incisional hernia formation and promoting the wound healing without conglutination. This research not only offers a universal approach to design helical microfibers but also provides a new insight into artificial skin.
Stabilization of the Elusive Antimony(I) Cation and Its Coordination Complexes with Transition Metals
Authors: Kumar Vikas , Gonnade Rajesh G. , Yildiz Cem B. , Majumdar Moumita 
Published: September 2021

AbstractUpon stabilization by 5,6‐bis(diisopropylphosphino)acenaphthene to form compound 1, the fugitive antimony (I) cation exhibited nucleophilic behavior towards coinage metals. Compound 1 was strategically synthesized at room temperature from SbCl3, the bis(phosphine), and trimethylsilyl trifluoromethanesulfonate taken in a 1:2:3 ratio, whereby the bis(phosphine) plays the dual role of a reductant and a supporting ligand. The generation of 1 involves two‐electron oxidation of the ligand to form a P−P bonded diphosphonium dication. Compound 1 was separated from this dication to give both products in pure form in moderate yields. Despite the overall positive charge, the SbI site in 1 was found to bind to metal centers, forming complexes with AuI, AgI and CuI. Compound 1 reduced CuII to CuI and formed a coordination complex with the resulting CuI species. The effects of the electron‐rich bis(phosphine) and the constrained peri geometry in stabilizing and enhancing the nucleophilicity of 1 have been rationalized through computational studies.
Mechanical behavior of 3D‐printed polymeric metamaterials for lightweight applications
Authors: Truszkiewicz Eliza , Thalhamer Andreas , Rossegger Marlene , Vetter Mario , Meier Gerald , Rossegger Elisabeth , Fuchs Peter , Schlögl Sandra , Berer Michael 
Published: September 2021

AbstractArtificially structured materials, also called metamaterials, can achieve very unique properties due to the fact that their attributes are mainly derived from the design of the structures. This work gives an overview of the mechanical behavior of four differently designed and 3D‐printed metamaterial structures. For each structure, both, the printing technique and the materials used for printing were varied. In total four different polymers were investigated and processed with three different 3D‐printing techniques. Their mechanical behavior was studied by compression tests, which showed the wide range of material properties that can be achieved by utilizing the different materials/3D‐printing techniques. In addition, bending tests of 3D‐printed bending specimens were conducted to provide material data for subsequent finite element simulation of the structures. The comparison of experiments and numerical simulations gave further insight into local deformation mechanisms and allowed for a better understanding of the overall deformation behavior.
Maternal immunization with Group B Streptococcus six‐valent polysaccharide conjugate vaccine supported by lack of toxicity in rat and rabbit fertility and developmental toxicity studies
Authors: Catlin Natasha R. , Cappon Gregg D. , Engel Scott , Rohde Cynthia , Nowland William S. , Buitrago Sandra , Scully Ingrid , Anderson Annaliesa S. , Bowman Christopher J. 
Published: September 2021

AbstractA maternal Group B Streptococcus (GBS) six‐valent polysaccharide conjugate vaccine (GBS6) is being developed to protect neonates and infants up to 3 months of age through passive transfer of antibodies from the mother to the infant. Fertility and developmental toxicity studies were conducted in female Sprague Dawley rats and New Zealand White rabbits with GBS6 (20 μg capsular polysaccharide/serotype formulated with or without AlPO4, the highest clinical dose). Females were administered the full human dose of the GBS6 formulation intramuscularly twice prior to mating and twice during gestation, to ensure that high antibody levels were maintained throughout gestation and lactation. Approximately, half of the rats and rabbits were evaluated at the end of gestation, and the remainder were evaluated at the end of lactation. Maternal blood for GBS6 serology, to measure antibody titers to the GBS6 antigens, was collected prior to the first dose, prior to mating, and at each necropsy. Blood for serology was also collected from offspring at the end of gestation and lactation. In both species, there was no evidence of vaccine‐related effects on fertility, embryo‐fetal development, or postnatal development of the offspring, supporting regulatory guidance that single‐species evaluation would have been sufficient. Functional serum antibodies to all six serotypes in the vaccine were confirmed in maternal animals and functional serum antibodies to one or more of the six serotypes was also confirmed in some rat offspring and most of the rabbit offspring. The results of these studies supported the safety of GBS6 vaccine administration to pregnant women.
A high cell density perfusion process for Modified Vaccinia virus Ankara production: Process integration with inline DNA digestion and cost analysis
Authors: Gränicher Gwendal , Babakhani Masoud , Göbel Sven , Jordan Ingo , Marichal‐Gallardo Pavel , Genzel Yvonne , Reichl Udo 
Published: September 2021

AbstractBy integrating continuous cell cultures with continuous purification methods, process yields and product quality attributes have been improved over the last 10 years for recombinant protein production. However, for the production of viral vectors such as Modified Vaccinia virus Ankara (MVA), no such studies have been reported although there is an increasing need to meet the requirements for a rising number of clinical trials against infectious or neoplastic diseases. Here, we present for the first time a scalable suspension cell (AGE1.CR.pIX cells) culture‐based perfusion process in bioreactors integrating continuous virus harvesting through an acoustic settler with semi‐continuous chromatographic purification. This allowed obtaining purified MVA particles with a space‐time yield more than 600% higher for the integrated perfusion process (1.05 × 1011 TCID50/Lbioreactor/day) compared to the integrated batch process. Without further optimization, purification by membrane‐based steric exclusion chromatography resulted in an overall product recovery of 50.5%. To decrease the level of host cell DNA before chromatography, a novel inline continuous DNA digestion step was integrated into the process train. A detailed cost analysis comparing integrated production in batch versus production in perfusion mode showed that the cost per dose for MVA was reduced by nearly one‐third using this intensified small‐scale process.
Conditional survival of metastatic clear cell renal cell carcinoma: How prognosis evolves after cytoreductive surgery of primary tumor
Authors: Shen Haixiang , Liu Jin , Liu Wei , Sun Jiazhu , Zheng Xiangyi , Teng Lisong , Wang Xiao , Xie Liping 
Published: September 2021

AbstractIntroductionCytoreductive surgery is one of the recommended treatments for metastatic renal cell carcinoma, while the prognostic information of these patients treated with cytoreductive surgery is limited. In this study, we aimed to investigate the survival profiles based on conditional survival (CS) estimates in metastatic clear cell renal cell carcinoma (mccRCC) patients treated with cytoreductive surgery of primary tumor.Methods and materialsWe identified and extracted mccRCC patients from the Surveillance, Epidemiology, and End Results database. We used Kaplan–Meier method to perform CS analyses. A multivariate Cox regression model was applied to explore the changes of well‐known prognostic factors.ResultsConditional overall survival (COS) and conditional cancer‐specific survival (CCSS) improved increasingly at all periods of survivorships compared to survival estimates at baseline in overall population of mccRCC. The 36‐month COS improved by 3.3%–6.4% given per 12 additional months of survivorships and the CCSS improved significantly from 45.1% (95% CI 42.8–47.3) at 12 months to 67.1% (95% CI 62.0–71.7) at 60 months. Much more survival gain was observed in patients with advanced disease. Furthermore, the prognostic significance of age and pathological factors diminished and even disappeared in a long‐term survivorship.ConclusionsConditional overall survival and CCSS improved with time dynamically in mccRCC patients treated with cytoreductive surgery of primary tumor. Patients with advanced disease achieved significant survival gain and even could harvest a better prognosis given that the time of survivorship exceeds a certain period. Our findings could provide valuable and practical data for patient counseling and surveillance strategy making.
Engineering of Silicon Core‐Shell Structures for Li‐ion Anodes
Authors: Rage Bastien , Delbegue Diane , Louvain Nicolas , Lippens Pierre‐Emmanuel 
Published: September 2021

AbstractThe amount of silicon in anode materials for Li‐ion batteries is still limited by the huge volume changes during charge‐discharge cycles. Such changes lead to the loss of electrical contacts, as well as mechanical and surface electrolyte interphase (SEI) instabilities, strongly reducing the cycle life. Core‐shell structures have attracted a vast research interest due to the possibility of modifying some properties with a judicious choice of the shell. It is, for example, possible to improve the electronic conductivity and ionic diffusion, or buffer volume variations. This review gives a comprehensive overview of the recent developments and the different strategies used for the design, synthesis and electrochemical performance of silicon‐based core‐shells. It is based on a selection of the main types of silicon coatings reported in the literature, including carbon, inorganic, organic and double‐layer coatings, Finally, a summary of the advantages and drawbacks of these different types of core‐shells as anode materials for Li‐ion batteries and some insightful suggestions in regards to their use are provided.
Macrocyclic Inorganic Tin‐Containing Oxo Clusters: Heterometallic Strategy for Configuration and Catalytic Activity Modulation
Authors: Wang Di , Chen Guang‐Hui , Yuan Lv‐Bing , Feng Cheng‐Cheng , Zhang Jian , Zhang Lei 
Published: September 2021

AbstractIn this work, the first examples of inorganic macrocyclic tin‐oxo clusters which are stabilized by sulfate ligands are reported. As determined by X‐ray diffraction and photoelectron spectroscopy analyses, the prepared inorganic Sn10‐oxo cluster displays interesting mixed valence behaviors, with 8 Sn4+ located at the cyclic skeleton and two Sn2+ encapsulated in the center. When further introducing Ti4+ and In3+ ions to the synthetic systems, heterometallic Sn2Ti6 and SnIn5Ti6 complexes with Ti6(SO4)9 and SnIn5(SO4)12 macrocyclic skeletons were prepared whose configuration and packing models were affected by the ionic radius of incorporated metals. Moreover, comparative CO2 reduction experiments confirm that such heterometallic composition can significantly improve the catalytic activities of these inorganic macrocyclic oxo clusters. This work represents a milestone in constructing inorganic tin complexes and also macrocyclic metal oxo clusters with tunable configurations and properties.
Somatic intronic TP53 c.375+5G mutations are a recurrent but under‐recognized mode of TP53 inactivation
Authors: Chui M Herman , Yang Ciyu , Mehta Nikita , Rai Vikas , Zehir Ahmet , Momeni Boroujeni Amir , Ladanyi Marc , Mandelker Diana 
Published: September 2021

AbstractTP53 is one of the most ubiquitously altered genes in human cancer. The biological impact of rare variants, particularly those located within noncoding regions, remains poorly understood. From interrogation of clinical massively parallel sequencing data from over 55,000 tumors, which included 23,330 tumors with known TP53 mutations, TP53 intron 4 nucleotide substitutions at position c.375+5G were identified in 45 tumors (0.2% of TP53‐mutated cancers), comprising cancers of different organ sites. Loss‐of‐heterozygosity or a second‐hit somatic TP53 mutation was observed in 34 of 40 (85%) informative cases. RT‐PCR analysis showed the c.375+5G>T variant to be associated with aberrantly spliced TP53 mRNA transcripts with concomitant loss of the normal transcript. Immunohistochemical staining for p53 was performed on a representative subset of tumors with TP53 c.375+5G variants (n = 14), all of which showed loss of protein expression (100%; n = 13 complete loss, n = 1 subclonal loss). Our data are consistent with classification of TP53 c.375+5G variants as deleterious intronic mutations that interfere with proper mRNA splicing, ultimately resulting in loss of expression of functional p53 protein. The clinical scenario of a tumor with loss of p53 immunohistochemical staining, yet lacking a detectable TP53 exonic mutation, should therefore prompt consideration of splice‐altering intronic variants.
How elemental composition influences the color of igneous and sedimentary rocks: Case of the High Atlas rocks of Morocco
Authors: El Halim Mouhssin , Daoudi Lahcen , El Alaoui El Fels Abdelhafid 
Published: September 2021

AbstractIn spite of color being one of the physicochemical parameters most commonly used to characterize a rock, very limited studies have studied the correlation between the nature, chemical composition, and color of a rock. This study presents a new approach for quantitatively assessing the relationship between these three parameters for specific rocks (example of igneous and sedimentary rocks) collected from the High Atlas of Morocco. A spectrophotometer was used to measure the color of samples, and the measurements were expressed in CIE L*a*b* color system units then converted to Hex color codes. Whereas, the chemical composition of samples was carried out by X‐ray fluorescence. The most abundant oxides in magmatic rock samples are SiO2, Al2O3, Fe2O3, MgO, and CaO, while K2O, Na2O, TiO2, and P2O5 are generally found in trace concentrations. Two categories of clays were studied, non‐calcareous raw materials without carbonate contents (<4% CaO) and calcareous clays or marls (CaO > 10%). Phosphate samples are rich in phosphorus (4.4%‐17.5%) and CaO (11.2%‐42.7%) with relatively low contents of SiO2 (28.5%‐52.2%), Al2O3 (3.1%‐17.5%), and Fe2O3 (1.1%‐6.6%). Results show that the change in the content of these elements from one rock type to another may be indicative of rocks with particular characteristics that do have an impact on color. The main coloration agent of clays was iron, Fe2+, and Fe3+ ions can color clay minerals either red or green or in various shades of orange and brown. However, in marls and phosphates, the high concentration of carbonates inhibits this iron effect by affecting a* (red) and b* (yellow) color parameters, which leads to grayish materials. The same applies to magmatic rocks rich in Fe2O3 and CaO.
Metabolite elucidation of 2‐fluoro‐deschloroketamine (2F‐DCK) using molecular networking across three complementary in vitro and in vivo models
Authors: Gicquel Thomas , Pelletier Romain , Richeval Camille , Gish Alexandr , Hakim Florian , Ferron Pierre‐Jean , Mesli Vadim , Allorge Delphine , Morel Isabelle , Gaulier Jean‐michel 
Published: September 2021

AbstractThis work first aims to investigate metabolites of 2‐fluoro‐deschloroketamine (2F‐DCK), a new arylcyclohexylamine derivatives (a group of dissociative ketamine‐based substances) using two in vitro experimental approaches, and to compare obtained results by means of molecular networking. Metabolites of 2F‐DCK were investigated using both human liver microsomes (HLMs) and hepatic (HepaRG) cell line incubates using molecular networking approach: 2F‐DCK pure substance was incubated with HLMs for up to 1 h at two concentrations (100 and 500 μM) and with HepaRG cells for two time periods (8 and 24 h) at one concentration (20 μM). In vitro obtained results were subsequently applied to a 2F‐DCK‐related fatality case. In vitro‐produced metabolites were investigated using high‐resolution accurate mass spectrometry using Orbitrap mass analyzer technology. Thirteen metabolites were in vitro produced and several metabolic pathways can be postulated. Seven additional metabolites were found in post‐mortem samples (bile and urine) of the case, comprising three Phase II metabolites, which appear to be minor in vivo metabolites. HLMs and HepaRG cell models appear to be complementary and obtained data allowed the identification of several specific 2F‐DCK metabolites in biological samples. In practical terms, observed metabolic ratios suggested that nor‐2F‐DCK (208.1137 m/z) and a hydrogenated metabolite (224.1443 m/z) could be proposed as reliable metabolites to be recorded in HRMS libraries in order to improve detection of 2F‐DCK use.