bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel methods to extract and quantify sensors based on single wall carbon nanotube fluorescence from animal tissue and hydrogel-based platforms
Authors: Hofferber Eric , Meier Jakob , Herrera Nicolas , Stapleton Joseph , Ney Kayla , Francis Becca , Calkins Chris , Iverson Nicole 
Published: February 2021

Abstract
Sensors that can quickly and accurately diagnose and monitor human health are currently at the forefront of medical research. Single walled carbon nanotube (SWNT) based optical biosensors are a growing area of research due to the high spatiotemporal resolution of their near infrared fluorescence leading to high tissue transparency and unparalleled sensitivity to analytes of interest. Unfortunately, due to the functionalization requirements of SWNT-based sensors, there are concerns surrounding accumulation and persistence when applied in vivo. In this study, we developed protocols to extract and quantify SWNT from complex solutions and show an 89% sensor retention by hydrogel platforms when implanted in vivo. Animal tissues of interest were also extracted and probed for SWNT content showing no accumulation (0.03 mg l−1 SWNT detection limit). The methods developed in this paper demonstrated one avenue for applying SWNT sensors in vivo without concern for accumulation.
Nuclear clocks for testing fundamental physics
Authors: Peik E , Schumm T , Safronova M S , Pálffy A , Weitenberg J , Thirolf P G 
Published: February 2021

Abstract
The low-energy, long-lived isomer in 229Th, first studied in the 1970s as an exotic feature in nuclear physics, continues to inspire a multidisciplinary community of physicists. It has stimulated innovative ideas and studies that expand the understanding of atomic and nuclear structure of heavy elements and of the interaction of nuclei with bound electrons and coherent light. Using the nuclear resonance frequency, determined by the strong and electromagnetic interactions inside the nucleus, it is possible to build a highly precise nuclear clock that will be fundamentally different from all other atomic clocks based on resonant frequencies of the electron shell. The nuclear clock will open opportunities for highly sensitive tests of fundamental principles of physics, particularly in searches for violations of Einstein’s equivalence principle and for new particles and interactions beyond the standard model. It has been proposed to use the nuclear clock to search for variations of the electromagnetic and strong coupling constants and for dark matter searches. The 229Th nuclear optical clock still represents a major challenge in view of the tremendous gap of nearly 17 orders of magnitude between the present uncertainty in the nuclear transition frequency (about 0.2 eV, corresponding to ∼48 THz) and the natural linewidth (in the mHz range). Significant experimental progress has been achieved in recent years, which will be briefly reviewed. Moreover, a research strategy will be outlined to consolidate our present knowledge about essential 229mTh properties, to determine the nuclear transition frequency with laser spectroscopic precision, realize different types of nuclear clocks and apply them in precision frequency comparisons with optical atomic clocks to test fundamental physics. Two avenues will be discussed: laser-cooled trapped 229Th ions that allow experiments with complete control on the nucleus–electron interaction and minimal systematic frequency shifts, and Th-doped solids enabling experiments at high particle number and in different electronic environments.
First-principles study of cubic alkaline-earth metal zirconate perovskites
Authors: Lamichhane Aneer , Ravindra N M 
Published: February 2021

Abstract
Zirconate perovskites are known for their ionic conductivity. First principles study are performed to analyze the structural, elastic, electronic and optical properties of zirconate perovskites. The effects of alkaline earth metal cation substitution on their overall properties are further investigated. The calculations are performed using the projector augmented wave (PAW) within GGA-PBE and HSE06 formalism. The obtained results not only predict the properties in accord with the experimental ones, but also compare the efficacy of these two functionals.
Experiential investigation on the effect of heavy fuel oil substitution by high sulfur petcoke on the physico-mechanical features and microstructure of white cement composites
Authors: Abdelzaher M A 
Published: February 2021

Abstract
The current research paper study the effects of producing white cement using high sulfur petroleum coke (WCPC) instead of using HFO (WCHFO). White Cement production needs huge amounts of thermal units from HFO and it the most consumed energy all over the world. There are many interest to burn alternative energy sources aiming to decrease in combustion cost and secure the surround environment. Current combustion technologies allow the burning of fuel With a high percentage of sulfur such as PC, to have the least environmental damage and generate the least amount of fly ash. HFO contains one third or less of sulfur (S) than high sulfur PC. High concentration of sulfur in white cement/clinker granules cause a series of adverse effects on its applications due to formation of big amounts of anhydrite (CaSO4-insoluble) & aphthitalite (3K2SO4·Na2SO4) and reduce the formation of thenardite (Na2SO4) leaves cracks, endearments and yellowish color for skin coat, painting and decoration applications. High sulfur content in white cement (WCPC) comes from high sulfur in fuel and accordingly increases the setting time, compressive strength, workability and sodium equivalent (Na2OEq) content, while it reduce cement whiteness reflection (Ry) degree. XR, XRD and physical properties of fuels are performed reflected high sulfur and alkali concentration. SEM morphology analysis has been tested showing improving in WCpC microstructure.
Dynamic electrical measurement of biomolecule behavior via plasmonically-excited nanogap fabricated by electromigration
Authors: Morita Akihiro , Sumitomo Takayuki , Uesugi Akio , Sugano Koji , Isono Yoshitada 
Published: February 2021

Abstract
The dynamic motion of DNA oligomers at the nanoscale gap between nanoelectrodes is measured under plasmonic excitation using laser irradiation. The use of a nanogap enables highly sensitive detection of individual molecules using an electrical readout or an optical readout such as Raman spectroscopy. However, the target molecule must reach the nanogap in order to be detected. This study focuses on the use of plasmonic excitation to trap molecules at the nanogap surface. The nanogap electrode is fabricated by electromigration and is, therefore, a much smaller nanogap than the top-down fabrication in the conventional plasmonic trapping studies. To demonstrate the individual molecule detection and to investigate the molecular behavior, the molecules are monitored using an electrical readout under a bias voltage instead of an optical readout used in the conventional studies. The conductance change due to DNA oligomer penetration to the nanogap is observed with the irradiated light intensity of over 1.23 mW. The single-molecule detection is confirmed irradiating the laser to the nanogap. The results suggest that DNA oligomers are spontaneously attracted and concentrated to the nanogap corresponding to the detection point, resulting in high detection probability and sensitivity.
Impact of shear mixing time of epoxy-silica nanocomposites on its electrical and mechanical properties
Authors: Sharma Abhishek , Sukesh Babu Myneni , Velmurugan R , Imai Takahiro , Sarathi R 
Published: February 2021

Abstract
The shear mixing time was varied to study its influence on electrical and mechanical behaviour of epoxy-silica nanocomposites. Epoxy resin along with 1 wt.% of silica nanofillers were subjected to shear mixing at different time spans. Water droplet-initiated corona inception voltage (CIV) was observed to increase with the shear mixing time, under AC and DC voltages. A marginal increase in contact angle a function of shear mixing time was noticed. The CIV due to water droplet and the contact angle has shown a direct correlation. The epoxy-silica nanocomposite sample fabricated with 7 h of shear mixing time has led to 46.68% increment in CIV under AC voltage and 24.81% increment in contact angle compared to base epoxy resin. The ultimate tensile strength (UTS) and the Young’s modulus of nanocomposites have increased with shear mixing time and at 7 h of shear mixing time has shown increase in ultimate tensile strength and Young’s modulus of 45.78% and 43.77%, respectively, as compared to base epoxy resin. The strain versus time plot obtained from the digital image correlation (DIC) studies has shown that maximum strain occurs at a time period before breakdown has increased with shear mixing time up to 7 h. The time at which the maximum strain occurs has increased to 91.49% before the breakdown of epoxy-silica nanocomposite sample which was prepared with 7 h of shear mixing time as compared to base epoxy resin.
A framework for association rule learning with social media networks
Authors: Kruse Ryan , Lokukatagoda Tharindu , Alkhushayni Suboh 
Published: February 2021

Abstract
We present an application of association rule learning to analyze Twitter account follow patterns. In doing so, we develop a basic framework and tutorial for future researchers to build on, which takes advantage of the Twitter API. To demonstrate the method, we take samples of Twitter accounts following Joe Biden and Donald Trump. For each account in our sample population, we pull the account’s 100 most recently followed accounts. This data is cleaned and formatted for use with Python’s apyori package, which uses the well-known apriori algorithm to learn association rules for a given dataset. This work has two objectives: (1) demonstrate the application association rule learning to social media networks and (2) perform exploratory analysis on the resulting association rules. We successfully demonstrate association rule learning in a Jupyter-notebook environment with Python. The resulting association rules indicate some interesting similarities and differences in the networks of Biden’s and Trump’s Twitter followers. The demonstrated method can be generalized to any non-private Twitter account(s). Extensions of our work can apply the method to larger datasets, with a focus on analyzing the learned association rules. Our study demonstrates an innovative application of association rule learning outside of the traditional use cases, which suggests similar opportunities in fields such as politics, education, public health, and more.
Proteo-chemometrics interaction fingerprints of protein–ligand complexes predict binding affinity
Authors: Wang Debby D. , Xie Haoran , Yan Hong 
Published: February 2021

Abstract

Motivation
Reliable predictive models of protein–ligand binding affinity are required in many areas of biomedical research. Accurate prediction based on current descriptors or molecular fingerprints (FPs) remains a challenge. We develop novel interaction FPs (IFPs) to encode protein–ligand interactions and use them to improve the prediction.

Results
Proteo-chemometrics IFPs (PrtCmm IFPs) formed by combining extended connectivity fingerprints (ECFPs) with the proteo-chemometrics concept. Combining PrtCmm IFPs with machine-learning models led to efficient scoring models, which were validated on the PDBbind v2019 core set and CSAR-HiQ sets. The PrtCmm IFP Score outperformed several other models in predicting protein–ligand binding affinities. Besides, conventional ECFPs were simplified to generate new IFPs, which provided consistent but faster predictions. The relationship between the base atom properties of ECFPs and the accuracy of predictions was also investigated.

Availability
PrtCmm IFP has been implemented in the IFP Score Toolkit on github (https://github.com/debbydanwang/IFPscore).

Supplementary information
Supplementary data are available at Bioinformatics online.
Polystyrene Immobilized Sol–Gel Ground Silica Monolith Particles Using One-Pot Reaction of Enhanced Separation Efficiency
Authors: Sun Genlin , Lu Yao 
Published: February 2021

Abstract
The stationary phase based on sol–gel ground silica monolith particles has been produced by one-pot polymerization method incorporation of styrene and ethylene dimethacrylate. First, the ground silica monolith particles were prepared by a sol–gel process followed by sedimentation. The particles were then subjected to modify with styrene ligand via one-pot polymerization, whereas ethylene dimethacrylate was used as the cross-linker. The glass lined stainless steel columns (1 mm internal diameter, 150 mm length) were packed with the above phase for estimation of the chromatographic performance in high-performance liquid chromatography. An average number of theoretical plates of as high as 39,300 plates/column was obtained under the optimized elution condition. The column-to-column reproducibility was proved satisfactory in separation efficiency and retention factor. The experimental results indicate that sol–gel ground silica particles prepared by an aid of one-pot modification can provide a better way for preparation of highly efficient stationary phase.
Orientation of the right superior pulmonary vein affects outcome after pulmonary vein isolation
Authors: Szegedi Nándor , Vecsey-Nagy Milán , Simon Judit , Szilveszter Bálint , Herczeg Szilvia , Kolossváry Márton , Idelbi Hana , Osztheimer István , Klaudia Nagy Vivien , Tahin Tamás , Széplaki Gábor , Delgado Victoria , Bax Jeroen J , Maurovich-Horvat Pál , Merkely Béla , Gellér László 
Published: February 2021

Abstract

Aims
Controversial results have been published regarding the influence of pulmonary vein (PV) anatomical variations on outcomes after pulmonary vein isolation (PVI). However, no data are available on the impact of PV orientation on the long-term success rates of point-by-point PVI. We sought to determine the impact of PV anatomy and orientation on atrial fibrillation (AF)-free survival in patients undergoing PVI using the radiofrequency point-by-point technique.

Methods and results
We retrospectively included 448 patients who underwent initial point-by-point radiofrequency ablation for AF at our department. Left atrial computed tomography angiography was performed before each procedure. PV anatomical variations, ostial parameters (area, effective diameter, and eccentricity), orientation, and their associations with 24-month AF-free survival were analysed. PV anatomical variations and ostial parameters were not predictive for AF-free survival (all P &gt; 0.05). Univariate analysis showed that female sex (P = 0.025) was associated with higher rates of AF recurrence, ventral-caudal (P = 0.002), dorsal-cranial (P = 0.034), and dorsal-caudal (P = 0.042) orientation of the right superior PV (RSPV), on the other hand, showed an association with lower rates of AF recurrence, when compared with the reference ventral-cranial orientation. On multivariate analysis, both female sex [odds ratio (OR) 1.83, 95% CI 1.15–2.93, P = 0.011] and ventral-caudal RSPV orientation, compared with ventral-cranial orientation, proved to be independent predictors of 24-month AF recurrence (OR 0.37, 95% CI 0.19–0.71, P = 0.003).

Conclusion
Female sex and ventral-caudal RSPV orientation have an impact on long-term arrhythmia-free survival. Assessment of PV orientation may be a useful tool in predicting AF-free survival and may contribute to a more personalized management of AF.
Transplantation of donor hearts after circulatory death using normothermic regional perfusion and cold storage preservation
Authors: Vandendriessche Katrien , Tchana-Sato Vincent , Ledoux Didier , Degezelle Karlien , Rex Steffen , Neyrinck Arne , Jochmans Ina , Monbaliu Diethard , Vandenbriele Christophe , Cleemput Johan Van , Meyns Bart , Rega Filip 
Published: March 2021

Abstract

OBJECTIVES
Hearts donated after circulatory determination of death are usually preserved with normothermic machine perfusion prior to transplantation. This type of preservation is costly, requires bench time adding to warm ischaemia, and does not provide a reliable evaluation of the unloaded donor heart. We report on 4 successful donation after circulatory death (category III) hearts transplanted after thoraco-abdominal normothermic regional perfusion (NRP) and static cold storage.

METHODS
After life sustaining therapy was withdrawn and death was declared, perfusion to thoraco-abdominal organs was restored using extracorporeal circulation via cannulas in the femoral artery and vein and clamping of supra-aortic vessels. After weaning from extracorporeal circulation, cardiac function was assessed. Once approved, the heart was retrieved and stored using classic static cold storage. Data are expressed as median [min–max].

RESULTS
Donor and recipient ages were 44 years [12–60] (n = 4) and 53 years [14–64] (n = 4), respectively. Time from the withdrawal of life sustaining therapy to start of NRP was 22 min [18–31]. Cold storage time was 72 min [35–129]. Thirty-day survival was 100% with a left ventricle ejection fraction of 60% [50–60].

CONCLUSIONS
Donation after circulatory death heart transplantation using thoraco-abdominal NRP and subsequent cold storage preservation for up to 129 min was safe for 4 procedures and could be a way to expand the donor heart pool while avoiding costs of machine preservation.
De Novo Whole-Genome Assembly of the Swede Midge (Contarinia nasturtii), a Specialist of Brassicaceae, Using Linked-Read Sequencing
Authors: Mori Boyd A , Coutu Cathy , Chen Yolanda H , Campbell Erin O , Dupuis Julian R , Erlandson Martin A , Hegedus Dwayne D 
Published: February 2021

AbstractThe swede midge, Contarinia nasturtii, is a cecidomyiid fly that feeds specifically on plants within the Brassicaceae. Plants in this family employ a glucosinolate-myrosinase defense system, which can be highly toxic to nonspecialist feeders. Feeding by C. nasturtii larvae induces gall formation, which can cause substantial yield losses thus making it a significant agricultural pest. A lack of genomic resources, in particular a reference genome, has limited deciphering the mechanisms underlying glucosinolate tolerance in C. nasturtii, which is of particular importance for managing this species. Here, we present an annotated, scaffolded reference genome of C. nasturtii using linked-read sequencing from a single individual and explore systems involved in glucosinolate detoxification. The C. nasturtii genome is similar in size and annotation completeness to that of the Hessian fly, Mayetiola destructor, but has greater contiguity. Several genes encoding enzymes involved in glucosinolate detoxification in other insect pests, including myrosinases, sulfatases, and glutathione S-transferases, were found, suggesting that C. nasturtii has developed similar strategies for feeding on Brassicaceae. The C. nasturtii genome will, therefore, be integral to continued research on plant-insect interactions in this system and contribute to effective pest management strategies.
Goal Changes and Healthy Aging
Authors: Heckhausen Jutta , Brandstätter Veronika , Fishbach Ayelet , Freund Alexandra M , Lachman Margie E , Robert Philippe 
Published: February 2021

AbstractThis article discusses ways in which aging individuals respond to physical, social, and environmental changes and constraints by modifying their goals. We review aging-related trends, which we derive from several theoretical approaches, including goal systems theory, the motivational theory of life-span development and its action-phase model, and the Selection, Optimization, and Compensation model. These theories explain how biological and social role changes in later adulthood prompt individuals to make changes to the content, orientation, and composition of their goals, including disengaging from and adjusting previously central goals. They also help identify individual differences in the capacity to do so effectively. We review several motivation-related interventions that address the challenges in goal adjustment and call for more research on identifying processes of goal changes conducive to healthy aging, more interventions, and modifications of societal and institutional (e.g., workplace, nursing home) operations that support adaptive goal change in older adults.
Systematic Studies on Temperature-Dependent In Vitro Stability during Storage and Smoking of the Synthetic Cannabinoid 5F-MDMB-P7AICA
Authors: Walle Nadja , Doerr Adrian A , Laschke Matthias W , Menger Michael D , Meyer Markus R , Schmidt Peter H , Schaefer Nadine 
Published: February 2021

Abstract
Metabolism studies have shown that the synthetic cannabinoid (SC) 5F-MDMB-P7AICA is predominantly degraded by ester hydrolysis to 5F-MDMB-P7AICA dimethyl butanoic acid. To investigate the stability of 5F-MDMB-P7AICA during storage for a certain period of time or smoking, in vitro stability tests were performed. Blood and serum samples were collected repeatedly during a toxicokinetic study using a pig model and were retested after a 5- and 12-month storage at different temperatures (−20°C, 4°C or room temperature (RT)). Analysis was performed using fully validated liquid chromatography tandem mass spectrometry methods following liquid–liquid extraction and protein precipitation. One set of samples was analyzed immediately following the experiment (without storage (WS)). In the WS samples, 5F-MDMB-P7AICA and 5F-MDMB-P7AICA dimethyl butanoic acid were present in every sample collected throughout the whole experiment. Analysis of the blood and serum samples stored for 5 and 12 months at −20°C and 4°C revealed relatively stable concentrations of the parent substance and the dimethyl butanoic acid metabolite. Regarding the samples stored at RT, the concentrations of 5F-MDMB-P7AICA decreased, while the concentrations of the hydrolysis product increased. This change could particularly be observed in samples with a high initial concentration of the analytes. A further screening of the samples stored at RT revealed no other degradation products. In conclusion, the SC 5F-MDMB-P7AICA could be detected even after 12 months of storage at RT and therefore seems to be more stable than its isomer, 5F-ADB. Regarding the smoke condensate, besides the parent compound, only trace amounts of dimethyl butanoic acid were found.
Imaging simulation of charged nanowires in TEM with large defocus distance
Authors: Shi Te , Liu Shikai , Tian H , Ding Z J 
Published: February 2021

Abstract
In transmission electron microscope (TEM), both the amplitude and the phase of electron beam change when electrons traverse a specimen. The amplitude is easily obtained by the square root of the intensity of a TEM image, while the phase affects defocused images. In order to obtain the phase map and verify the theoretical model of the interaction between electron beam and specimen, a lot of simulations have to be performed by researchers. In this work, we have simulated defocus images of a SiC nanowire in TEM with the method of electron optics. Mean inner potential and charge distribution on the nanowire have been considered in the simulation. Besides, due to electron scattering, coherence loss of the electron beam has been introduced. A dynamic process with Bayesian optimization was used in the simulation. With the infocus image as input and by adjusting fitting parameters, the defocus image is determined with a reasonable charge distribution. The calculated defocus images are in a good agreement with the experimental ones. Here, we present a complete solution and verification method for solving nanoscale charge distribution in TEM.