bluuebunny/crossref_metadata_2025 huggingface dataset:
Deep Learning for Rapid Identification of Microbes Using Metabolomics Profiles
Authors: Wang Danhui , Greenwood Peyton , Klein Matthias S.
Published: December 2021

Rapid detection of viable microbes remains a challenge in fields such as microbial food safety. We here present the application of deep learning algorithms to the rapid detection of pathogenic and non-pathogenic microbes using metabolomics data. Microbes were incubated for 4 h in a protein-free defined medium, followed by 1D 1H nuclear magnetic resonance (NMR) spectroscopy measurements. NMR spectra were analyzed by spectral binning in an untargeted metabolomics approach. We trained multilayer (“deep”) artificial neural networks (ANN) on the data and used the resulting models to predict spectra of unknown microbes. ANN predicted unknown microbes in this laboratory setting with an average accuracy of 99.2% when using a simple feature selection method. We also describe learning behavior of the employed ANN and the optimization strategies that worked well with these networks for our datasets. Performance was compared to other current data analysis methods, and ANN consistently scored higher than random forest models and support vector machines, highlighting the potential of deep learning in metabolomics data analysis.
A Review of Sharp-Switching Band-Modulation Devices
Authors: Cristoloveanu Sorin , Lacord Joris , Martinie Sébastien , Navarro Carlos , Gamiz Francisco , Wan Jing , Dirani Hassan , Lee Kyunghwa , Zaslavsky Alexander
Published: December 2021

This paper reviews the recently-developed class of band-modulation devices, born from the recent progress in fully-depleted silicon-on-insulator (FD-SOI) and other ultrathin-body technologies, which have enabled the concept of gate-controlled electrostatic doping. In a lateral PIN diode, two additional gates can construct a reconfigurable PNPN structure with unrivalled sharp-switching capability. We describe the implementation, operation, and various applications of these band-modulation devices. Physical and compact models are presented to explain the output and transfer characteristics in both steady-state and transient modes. Not only can band-modulation devices be used for quasi-vertical current switching, but they also show promise for compact capacitorless memories, electrostatic discharge (ESD) protection, sensing, and reconfigurable circuits, while retaining full compatibility with modern silicon processing and standard room-temperature low-voltage operation.
Andrographolide Inhibits Lytic Reactivation of Epstein-Barr Virus by Modulating Transcription Factors in Gastric Cancer
Authors: Malat Praphatson , Ekalaksananan Tipaya , Heawchaiyaphum Chukkris , Suebsasana Supawadee , Roytrakul Sittiruk , Yingchutrakul Yodying , Pientong Chamsai
Published: December 2021

Andrographolide is the principal bioactive chemical constituent of Andrographis paniculata and exhibits activity against several viruses, including Epstein–Barr virus (EBV). However, the particular mechanism by which andrographolide exerts an anti-EBV effect in EBV-associated gastric cancer (EBVaGC) cells remains unclear. We investigated the molecular mechanism by which andrographolide inhibits lytic reactivation of EBV in EBVaGC cells (AGS-EBV cell line) using proteomics and bioinformatics approaches. An andrographolide treatment altered EBV protein-expression patterns in AGS-EBV cells by suppressing the expression of EBV lytic protein. Interestingly cellular transcription factors (TFs), activators for EBV lytic reactivation, such as MEF2D and SP1, were significantly abolished in AGS-EBV cells treated with andrographolide and sodium butyrate (NaB) compared with NaB-treated cells. In contrast, the suppressors of EBV lytic reactivation, such as EZH2 and HDAC6, were significantly up-regulated in cells treated with both andrographolide and NaB compared with NaB treatment alone. In addition, bioinformatics predicted that HDAC6 could interact directly with MEF2D and SP1. Furthermore, andrographolide significantly induced cell cytotoxicity and apoptosis of AGS-EBV cells by induction of apoptosis-related protein expression. Our results suggest that andrographolide inhibits EBV lytic reactivation by inhibition of host TFs, partially through the interaction of HDAC6 with TFs, and induces apoptosis of EBVaGC cells.
Evolution of Antibacterial Drug Screening Methods: Current Prospects for Mycobacteria
Authors: Bento Clara M. , Gomes Maria Salomé , Silva Tânia
Published: December 2021

The increasing resistance of infectious agents to available drugs urges the continuous and rapid development of new and more efficient treatment options. This process, in turn, requires accurate and high-throughput techniques for antimicrobials’ testing. Conventional methods of drug susceptibility testing (DST) are reliable and standardized by competent entities and have been thoroughly applied to a wide range of microorganisms. However, they require much manual work and time, especially in the case of slow-growing organisms, such as mycobacteria. Aiming at a better prediction of the clinical efficacy of new drugs, in vitro infection models have evolved to closely mimic the environment that microorganisms experience inside the host. Automated methods allow in vitro DST on a big scale, and they can integrate models that recreate the interactions that the bacteria establish with host cells in vivo. Nonetheless, they are expensive and require a high level of expertise, which makes them still not applicable to routine laboratory work. In this review, we discuss conventional DST methods and how they should be used as a first screen to select active compounds. We also highlight their limitations and how they can be overcome by more complex and sophisticated in vitro models that reflect the dynamics present in the host during infection. Special attention is given to mycobacteria, which are simultaneously difficult to treat and especially challenging to study in the context of DST.
Exploring New Ways to Reconstruct the Forma Urbis Romae: An Archaeometric Approach (CL Color and Stable Isotope Analyses)
Authors: Casas Lluís , Di Febo Roberta , Brilli Mauro , Giustini Francesca , Gozzi Marco , De Caprariis Francesca , Martín-Martín Juan Diego , Parisi Presicce Claudio
Published: December 2021

The Forma Urbis Romae (F.U.) was a 3rd-century-AD monumental map of ancient Rome consisting of 151 rectangular marble slabs. Several efforts have been made to reconstruct it from its current incomplete and fragmentary condition. In this paper, we explore the potential of an archaeometric approach to serve this purpose. Almost a hundred F.U. fragments have been characterized, particularly focusing on cathodoluminescence (CL) microscopy and stable isotopes (δ18O and δ13C). Different statistical methods have been used to quantify the similarity between samples. The central assumption is that samples from a given slab share similar CL colors and isotopic ratios. The assumption has been verified for samples from single fragments and then it has been used to check ten debated reconstruction hypotheses. The measured isotopic ratios confirm the Proconnesian nature of the F.U. marble, except for a fragment. Beyond provenance, the results cast doubts on four out of the ten checked reconstruction hypotheses and support the other six. The reconstruction of the F.U. remains a fascinating challenge, and both isotopic and CL analyses have demonstrated their potential to tackle it. Further research could extend the presented methodology to a higher number of samples. The innovative use of CL to reconstruct a fragmented artwork could be applied to other projects.
Study on Adsorption Characteristics of Sulfonate Gemini Surfactant on Lignite Surface
Authors: Chen Xuanlai , Yan Guochao , Yang Xianglin , Xu Guang
Published: December 2021

In order to explore the adsorption characteristics of sulfonate gemini surfactants on the surface of lignite, the molecular dynamics simulation method was used, and A kind of sulfonic acid bis sodium salt (S2) and the sodium dodecyl sulfate (SDS) were selected. A binary model of surfactant/lignite adsorption system and a ternary model of water/surfactant/lignite system were constructed, and a series of properties such as adsorption configuration, interaction energy, order parameters, relative concentration distribution, number of hydrogen bonds, etc., were analyzed. The results showed that the adsorption strength of S2 on the surface of lignite was higher than that of SDS. The results indicated that the large-angle molecular chain in S2 tended to become smaller, the small-angle molecular chain tended to become larger, and the angle between the molecular chains and the Z axis tended to be concentrated, making the formed network structure denser during the adsorption process. The number of hydrogen bonds in the water-coal system was 42, and the number of hydrogen bonds in the system after S2 adsorption was 15, which was much lower than the 23 hydrogen bonds in the system after SDS adsorption, and S2 could better adsorb and wrap the oxygen-containing groups on the surface of the lignite. The comparative study of the adsorption characteristics of the two surfactants on the surface of lignite can help us better understand the influence of the surfactant structure on the adsorption strength. The research results have important theoretical and practical significance for developing new surfactants, and enriching and developing the basic theory of coal wettability.
Analyzing Stability Conditions and Ore Dilution in Open Stope Mining
Authors: Delentas Andreas , Benardos Andreas , Nomikos Pavlos
Published: December 2021

Ore dilution is a fundamental problem for the production process in underground mining operations. Especially in open stoping methods of underground mining, the continuous estimation, monitoring and treatment of instability issues is considered necessary in order to maintain the consistency of the production process. This paper aims to combine empirical nomograms of stability estimation and numerical approaches and thus link the extensive experiences of the empirical design and the quantitative data derived by numerical analyses. To facilitate this, a large number of different geomechanical conditions were modeled and analyzed in the pursuit of obtaining valid and applicable relationships between the empirical stability graphs’ approaches and the numerical simulation models. The parametric analysis was made to express the stability conditions and the dilution with specific design characteristics, using prevalent stability-graph approaches while the numerical models were tested using the RS2 software package. The obtained results include direct and easy-to-use mathematical expressions that can be applied during the initial design of the stoping process, especially for the case of sidewalls (hanging walls and foot walls). Furthermore, through the research, an initial proposal is made for a dilution-based stability graph that could be utilized for the early identification of dilution.
Complex Biomineralization Pathways of the Belemnite Rostrum Cause Biased Paleotemperature Estimates
Authors: Hoffmann René , Linzmeier Benjamin J. , Kitajima Kouki , Nehrke Gernot , Dietzel Martin , Jöns Niels , Stevens Kevin , Immenhauser Adrian
Published: December 2021

Paleotemperatures based on δ18O values derived from belemnites are usually “too cold” compared to other archives and paleoclimate models. This temperature bias represents a significant obstacle in paleoceanographic research. Here we show geochemical evidence that belemnite calcite fibers are composed of two distinct low-Mg calcite phases (CP1, CP2). Phase-specific in situ measurement of δ18O values revealed a systematic offset of up to 2‰ (~8 °C), showing a lead–lag signal between both phases in analyses spaced less than 25 µm apart and a total fluctuation of 3.9‰ (~16 °C) within a 2 cm × 2 cm portion of a Megateuthis (Middle Jurassic) rostrum. We explain this geochemical offset and the lead–lag signal for both phases by the complex biomineralization of the belemnite rostrum. The biologically controlled formation of CP1 is approximating isotope fractionation conditions with ambient seawater to be used for temperature calculation. In contrast, CP2 indicates characteristic non-isotope equilibrium with ambient seawater due to its formation via an amorphous Ca-Mg carbonate precursor at high solid-to-liquid ratio, i.e., limited amounts of water were available during its transformation to calcite, thus suggesting lower formation temperatures. CP2 occludes syn vivo the primary pore space left after formation of CP1. Our findings support paleobiological interpretations of belemnites as shelf-dwelling, pelagic predators and call for a reassessment of paleoceanographic reconstructions based on belemnite stable isotope data.
Diatomaceous Earth for Arthropod Pest Control: Back to the Future
Authors: Zeni Valeria , Baliota Georgia V. , Benelli Giovanni , Canale Angelo , Athanassiou Christos G.
Published: December 2021

Nowadays, we are tackling various issues related to the overuse of synthetic insecticides. Growing concerns about biodiversity, animal and human welfare, and food security are pushing agriculture toward a more sustainable approach, and research is moving in this direction, looking for environmentally friendly alternatives to be adopted in Integrated Pest Management (IPM) protocols. In this regard, inert dusts, especially diatomaceous earths (DEs), hold a significant promise to prevent and control a wide range of arthropod pests. DEs are a type of naturally occurring soft siliceous sedimentary rock, consisting of the fossilized exoskeleton of unicellular algae, which are called diatoms. Mainly adopted for the control of stored product pests, DEs have found also their use against some household insects living in a dry environment, such as bed bugs, or insects of agricultural interest. In this article, we reported a comprehensive review of the use of DEs against different arthropod pest taxa, such as Acarina, Blattodea, Coleoptera, Diptera, Hemiptera, Hymenoptera, Ixodida, Lepidoptera, when applied either alone or in combination with other techniques. The mechanisms of action of DEs, their real-world applications, and challenges related to their adoption in IPM programs are critically reported.
Cobalt–Carbon Nanoparticles with Silica Support for Uptake of Cationic and Anionic Dyes from Polluted Water
Authors: Hammud Hassan H. , Karnati Ranjith Kumar , Alotaibi Nusaybah , Hussain Syed Ghazanfar , Prakasam Thirumurugan
Published: December 2021

Silica-supported hierarchical graphitic carbon sheltering cobalt nanoparticles Co-HGC@SiO2 (1) were prepared by pyrolysis at 850 °C of [Co(phen)(H2O)4]SO4·2H2O complex with silica in the presence of pyrene as a carbon source under nitrogen atmosphere. Nanocomposites (2) and (3) were obtained by acid treatment of (1) with HCl and HF acid, respectively. The nanocomposites showed rough hierarchical carbon microstructures over silica support decorated with irregular cobalt nanospheres and nanorods 50 to 200 nm in diameter. The nanoparticles consist of graphitic shells and cobalt cores. SEM, EDAX and TEM elemental mapping indicate a noticeable loss of cobalt in the case of (2) and loss of cobalt and silica in the case of (3) with an increase in porosity. Nanocomposite (3) showed the highest BET surface area 217.5 m2g−1. Raman spectrum shows defect D-band and graphitic G-band as expected in carbon nanostructures. PXRD reveals the presence of cobalt(0) nanoparticles. XPS indicates the presence of Co(II) oxides and the successful doping of nitrogen in the nanocomposites. Moreover, TEM elemental mapping provides information about the abundance of Si, Co, C, N and S elements in zones. Nanocomposite (1) showed maximum uptake capacity of 192.3 and 224.5 mg/g for crystal violet CV and methyl orange MO dyes, respectively. Nanocomposite (2) showed a capacity of 94.1 and 225.5 mg/g for CV and MO dyes, respectively. Nanocomposite (4) obtained after treatment of (1) with crystal violet proved successful adsorption of CV. Co-HGC (5) prepared without addition of silica has a capacity for CV equal to 192 mg/g, while it is 769.2 mg/g with MO. Electrostatics and π–π interactions of graphite and cobalt species in the nanocomposites with aromatic rings of cationic and anionic dyes are responsible for the adsorption. Yan et al. was the best model to describe column kinetics. The thomas column adsorption model showed that the maximum uptake capacity of (1) was 44.42 mg/g for CV and 32.62 mg/g for MO. for a column packed with 0.5 gm of (1) and dye concentration of 100 mg/L at a flow rate of 1 mL/min. The column was recycled three times with no noticeable clogging or degradation of nanocomposites. Thus, Co-HGC@SiO2 adsorbents can be used efficiently to treat water contaminated with cationic and anionic dyes.
Nano-Structured Lipid Carrier-Based Oral Glutathione Formulation Mediates Renoprotection against Cyclophosphamide-Induced Nephrotoxicity, and Improves Oral Bioavailability of Glutathione Confirmed through RP-HPLC Micellar Liquid Chromatography
Authors: Ahmad Adel M. , Mohammed Hamdoon A. , Faris Tarek M. , Hassan Abeer S. , Mohamed Hebatallah B. , El Dosoky Mahmoud I. , Aboubakr Esam M.
Published: December 2021

The study aimed to develop a new glutathione (GSH) oral formulation to enhance the delivery of GSH and counter the nephrotoxicity of the anticancer drug, cyclophosphamide (CP). A nanostructured lipid carrier glutathione formulation (GSH-NLCs) composed of glutathione (500 mg), stearic and oleic acid (300 mg, each), and Tween® 80 (2%, w/v) was prepared through the emulsification-solvent-evaporation technique, which exhibited a 452.4 ± 33.19 nm spheroidal-sized particulate material with narrow particle size distributions, −38.5 ± 1.4 mV zeta potential, and an entrapment efficiency of 79.8 ± 1.9%. The GSH formulation was orally delivered, and biologically tested to ameliorate the CP-induced renal toxicity in a rat model. Detailed renal morphology, before and after the GSH-NLCs administration, including the histopathological examinations, confirmed the ameliorating effects of the prepared glutathione formulation together with its safe oral delivery. CP-induced oxidative stress, superoxide dismutase depletion, elevation of malondialdehyde levels, depletion of Bcl-2 concentration levels, and upregulated NF-KB levels were observed and were controlled within the recommended and near normal/control levels. Additionally, the inflammatory mediator marker, IL-1β, serum levels were marginally normalized by delivery of the GHS-NLCs formulation. Oral administration of the pure glutathione did not exhibit any ameliorating effects on the renal tissues, which suggested that the pure glutathione is reactive and is chemically transformed during the oral delivery, which affected its pharmacological action at the renal site. The protective effects of the GSH-NLCs formulation through its antioxidant and anti-inflammatory effects suggested its prominent role in containing CP-induced renal toxicity and renal tissue damage, together with the possibility of administrating higher doses of the anticancer drug, cyclophosphamide, to achieve higher and effective anticancer action in combination with the GSH-NLCs formulation.
Machine-Learning-Enabled Virtual Screening for Inhibitors of Lysine-Specific Histone Demethylase 1
Authors: Zhou Jiajun , Wu Shiying , Lee Boon Giin , Chen Tianwei , He Ziqi , Lei Yukun , Tang Bencan , Hirst Jonathan D.
Published: December 2021

A machine learning approach has been applied to virtual screening for lysine specific demethylase 1 (LSD1) inhibitors. LSD1 is an important anti-cancer target. Machine learning models to predict activity were constructed using Morgan molecular fingerprints. The dataset, consisting of 931 molecules with LSD1 inhibition activity, was obtained from the ChEMBL database. An evaluation of several candidate algorithms on the main dataset revealed that the support vector regressor gave the best model, with a coefficient of determination (R2) of 0.703. Virtual screening, using this model, identified five predicted potent inhibitors from the ZINC database comprising more than 300,000 molecules. The virtual screening recovered a known inhibitor, RN1, as well as four compounds where activity against LSD1 had not previously been suggested. Thus, we performed a machine-learning-enabled virtual screening of LSD1 inhibitors using only the structural information of the molecules.
Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics
Authors: Tutone Marco , Almerico Anna Maria
Published: December 2021

To date, computational approaches have been recognized as a key component in drug design and discovery workflows [...]
Crossing of the Cystic Barriers of Toxoplasma gondii by the Fluorescent Coumarin Tetra-Cyclopeptide
Authors: Dard Céline , Leforestier Baptiste , Francisco Hilário Flaviane , Traoré Mohamed Dit Mady , Lespinasse Marie-Ange , Pérès Basile , Molina Marie-Carmen , Pereira de Freitas Rossimiriam , Milet Anne , Maubon Danièle , Wong Yung-Sing
Published: December 2021

FR235222 is a natural tetra-cyclopeptide with a strong inhibition effect on histone deacetylases, effective on mammalian cells as well as on intracellular apicomplexan parasites, such as Toxoplasma gondii, in the tachyzoite and bradyzoite stages. This molecule is characterized by two parts: the zinc-binding group, responsible for the binding to the histone deacetylase, and the cyclic tetrapeptide moiety, which plays a crucial role in cell permeability. Recently, we have shown that the cyclic tetrapeptide coupled with a fluorescent diethyl-amino-coumarin was able to maintain properties of cellular penetration on human cells. Here, we show that this property can be extended to the crossing of the Toxoplasma gondii cystic cell wall and the cell membrane of the parasite in its bradyzoite form, while maintaining a high efficacy as a histone deacetylase inhibitor. The investigation by molecular modeling allows a better understanding of the penetration mechanism.
ICP-MS Measurement of Trace and Rare Earth Elements in Beach Placer-Deposit Soils of Odisha, East Coast of India, to Estimate Natural Enhancement of Elements in the Environment
Authors: Veerasamy Nimelan , Sahoo Sarata Kumar , Murugan Rajamanickam , Kasar Sharayu , Inoue Kazumasa , Fukushi Masahiro , Natarajan Thennaarassan
Published: December 2021

Inductively coupled plasma mass spectrometry (ICP-MS) has been used to measure the concentration of trace and rare earth elements (REEs) in soils. Geochemical certified reference materials such as JLk-1, JB-1, and JB-3 were used for the validation of the analytical method. The measured values were in good agreement with the certified values for all the elements and were within 10% analytical error. Beach placer deposits of soils mainly from Odisha, on the east coast of India, have been selected to study selected trace and rare earth elements (REEs), to estimate enrichment factor (EF) and geoaccumulation index (Igeo) in the natural environment. Enrichment factor (EF) and geoaccumulation index (Igeo) results showed that Cr, Mn, Fe, Co, Zn, Y, Zr, Cd and U were significantly enriched, and Th was extremely enriched. The total content of REEs (ƩREEs) ranged from 101.3 to 12,911.3 µg g−1, with an average 2431.1 µg g−1 which was higher than the average crustal value of ΣREEs. A high concentration of Th and light REEs were strongly correlated, which confirmed soil enrichment with monazite minerals. High ratios of light REEs (LREEs)/heavy REEs (HREEs) with a strong negative Eu anomaly revealed a felsic origin. The comparison of the chondrite normalized REE patterns of soil with hinterland rocks such as granite, charnockite, khondalite and migmatite suggested that enhancement of trace and REEs are of natural origin.
High-Throughput Screening Campaign Identified a Potential Small Molecule RXFP3/4 Agonist
Authors: Lin Guangyao , Feng Yang , Cai Xiaoqing , Zhou Caihong , Shao Lijun , Chen Yan , Chen Linhai , Liu Qing , Zhou Qingtong , Bathgate Ross A.D. , Yang Dehua , Wang Ming-Wei
Published: December 2021

Relaxin/insulin-like family peptide receptor 3 (RXFP3) belongs to class A G protein-coupled receptor family. RXFP3 and its endogenous ligand relaxin-3 are mainly expressed in the brain with important roles in the regulation of appetite, energy metabolism, endocrine homeostasis and emotional processing. It is therefore implicated as a potential target for treatment of various central nervous system diseases. Since selective agonists of RXFP3 are restricted to relaxin-3 and its analogs, we conducted a high-throughput screening campaign against 32,021 synthetic and natural product-derived compounds using a cyclic adenosine monophosphate (cAMP) measurement-based method. Only one compound, WNN0109-C011, was identified following primary screening, secondary screening and dose-response studies. Although displayed agonistic effect in cells overexpressing the human RXFP3, it also showed cross-reactivity with the human RXFP4. This hit compound may provide not only a chemical probe to investigate the function of RXFP3/4, but also a novel scaffold for the development of RXFP3/4 agonists.
A High Separation Factor for 165Er from Ho for Targeted Radionuclide Therapy
Authors: Da Silva Isidro , Johnson Taylor R. , Mixdorf Jason C. , Aluicio-Sarduy Eduardo , Barnhart Todd E. , Nickles R. Jerome , Engle Jonathan W. , Ellison Paul A.
Published: December 2021

Background: Radionuclides emitting Auger electrons (AEs) with low (0.02–50 keV) energy, short (0.0007–40 µm) range, and high (1–10 keV/µm) linear energy transfer may have an important role in the targeted radionuclide therapy of metastatic and disseminated disease. Erbium-165 is a pure AE-emitting radionuclide that is chemically matched to clinical therapeutic radionuclide 177Lu, making it a useful tool for fundamental studies on the biological effects of AEs. This work develops new biomedical cyclotron irradiation and radiochemical isolation methods to produce 165Er suitable for targeted radionuclide therapeutic studies and characterizes a new such agent targeting prostate-specific membrane antigen. Methods: Biomedical cyclotrons proton-irradiated spot-welded Ho(m) targets to produce 165Er, which was isolated via cation exchange chromatography (AG 50W-X8, 200–400 mesh, 20 mL) using alpha-hydroxyisobutyrate (70 mM, pH 4.7) followed by LN2 (20–50 µm, 1.3 mL) and bDGA (50–100 µm, 0.2 mL) extraction chromatography. The purified 165Er was radiolabeled with standard radiometal chelators and used to produce and characterize a new AE-emitting radiopharmaceutical, [165Er]PSMA-617. Results: Irradiation of 80–180 mg natHo targets with 40 µA of 11–12.5 MeV protons produced 165Er at 20–30 MBq·µA−1·h−1. The 4.9 ± 0.7 h radiochemical isolation yielded 165Er in 0.01 M HCl (400 µL) with decay-corrected (DC) yield of 64 ± 2% and a Ho/165Er separation factor of (2.8 ± 1.1) · 105. Radiolabeling experiments synthesized [165Er]PSMA-617 at DC molar activities of 37–130 GBq·µmol−1. Conclusions: A 2 h biomedical cyclotron irradiation and 5 h radiochemical separation produced GBq-scale 165Er suitable for producing radiopharmaceuticals at molar activities satisfactory for investigations of targeted radionuclide therapeutics. This will enable fundamental radiation biology experiments of pure AE-emitting therapeutic radiopharmaceuticals such as [165Er]PSMA-617, which will be used to understand the impact of AEs in PSMA-targeted radionuclide therapy of prostate cancer.
Supercritical Fluid Extraction of Phenolic Compounds from Mango (Mangifera indica L.) Seed Kernels and Their Application as an Antioxidant in an Edible Oil
Authors: Buelvas-Puello Luis Miguel , Franco-Arnedo Gabriela , Martínez-Correa Hugo A. , Ballesteros-Vivas Diego , Sánchez-Camargo Andrea del Pilar , Miranda-Lasprilla Diego , Narváez-Cuenca Carlos-Eduardo , Parada-Alfonso Fabián
Published: December 2021

Phenolic compounds from mango (M. indica) seed kernels (MSK) var. Sugar were obtained using supercritical CO2 and EtOH as an extraction solvent. For this purpose, a central composite design was carried out to evaluate the effect of extraction pressure (11–21 MPa), temperature (40–60 °C), and co-solvent contribution (5–15% w/w EtOH) on (i) extraction yield, (ii) oxidative stability (OS) of sunflower edible oil (SEO) with added extract using the Rancimat method, (iii) total phenolics content, (iv) total flavonoids content, and (v) DPPH radical assay. The most influential variable of the supercritical fluid extraction (SFE) process was the concentration of the co-solvent. The best OS of SEO was reached with the extract obtained at 21.0 MPa, 60 °C and 15% EtOH. Under these conditions, the extract increased the OS of SEO by up to 6.1 ± 0.2 h (OS of SEO without antioxidant, Control, was 3.5 h). The composition of the extract influenced the oxidative stability of the sunflower edible oil. By SFE it was possible to obtain extracts from mango seed kernels (MSK) var. Sugar that transfer OS to the SEO. These promissory extracts could be applied to foods and other products.
Quality Parameters of Wheat Bread with the Addition of Untreated Cheese Whey
Authors: Tsanasidou Charikleia , Kosma Ioanna , Badeka Anastasia , Kontominas Michael
Published: December 2021

Τhe present study was carried out to evaluate wheat bread of three different flour compositions prepared by replacing water with untreated cheese whey (WCB). Bread prepared with water was taken as the control (CB). All breads were stored at 24 ± 1 °C for up to 6 days. Microbiological, physicochemical, and sensory analyses were determined as a function of storage time. WCB had lower total viable counts (TVC) (3.81 log cfu/g for CB and 2.78 log cfu/g for WCB on day 2 of storage) and showed delayed mold growth by 1 day (day 4 for CB and day 5 for WCB). WCB also had lower pH (5.91 for CB and 5.71 for WCB on day 0), higher titratable acidity values (TTA) (2.5–5.2 mL NaOH/10 g for CB and 4.5–6.8 mL NaOH/ 10 g for WCB), and higher protein content (PC) (PC 7.68% for CB and 8.88% for WCB). WCB was characterized by a more intense flavor, reduced hardness but similar cohesiveness, springiness, and adhesiveness compared to CB. Based primarily on sensory (appearance/mold formation) data, the shelf life of WCB was 4–5 days compared to 3–4 days for CB stored at 24 ± 1 °C. The proposed use of whey in bread preparation contributes decisively to the environmentally friendly management of whey.
The Processivity of Telomerase: Insights from Kinetic Simulations and Analyses
Authors: Bagshaw Clive R. , Hentschel Jendrik , Stone Michael D.
Published: December 2021

Telomerases are moderately processive reverse transcriptases that use an integral RNA template to extend the 3′ end of linear chromosomes. Processivity values, defined as the probability of extension rather than dissociation, range from about 0.7 to 0.99 at each step. Consequently, an average of tens to hundreds of nucleotides are incorporated before the single-stranded sDNA product dissociates. The RNA template includes a six nucleotide repeat, which must be reset in the active site via a series of translocation steps. Nucleotide addition associated with a translocation event shows a lower processivity (repeat addition processivity, RAP) than that at other positions (nucleotide addition processivity, NAP), giving rise to a characteristic strong band every 6th position when the product DNA is analyzed by gel electrophoresis. Here, we simulate basic reaction mechanisms and analyze the product concentrations using several standard procedures to show how the latter can give rise to systematic errors in the processivity estimate. Complete kinetic analysis of the time course of DNA product concentrations following a chase with excess unlabeled DNA primer (i.e., a pulse-chase experiment) provides the most rigorous approach. This analysis reveals that the higher product concentrations associated with RAP arise from a stalling of nucleotide incorporation reaction during translocation rather than an increased rate constant for the dissociation of DNA from the telomerase.
Fe3O4 Nanoparticles on 3D Porous Carbon Skeleton Derived from Rape Pollen for High-Performance Li-Ion Capacitors
Authors: Sun Mingshan , Chen Xinan , Tan Shutian , He Ying , Saha Petr , Cheng Qilin
Published: December 2021

Herein, a three-dimensional (3D) Fe3O4@C composite with hollow porous structure is prepared by simple solution method and calcination treatment with biomass waste rape pollen (RP) as a carbon source, which is served as an anode of Li-ion capacitor (LIC). The 3D interconnected porous structure and conductive networks facilitate the transfer of ion/electron and accommodate the volume changes of Fe3O4 during the electrochemical reaction process, which leads to the excellent performance of the Fe3O4@C composite electrode. The electrochemical analysis demonstrates that the hybrid LIC fabricated with Fe3O4@C as the anode and activated carbon (AC) as the cathode can operate at a voltage of 4.0 V and exhibit a high energy density of 140.6 Wh kg−1 at 200 W kg−1 (52.8 Wh kg−1 at 10 kW kg−1), along with excellent cycling stability, with a capacity retention of 83.3% over 6000 cycles. Hence, these encouraging results indicate that Fe3O4@C has great potential in developing advanced LICs electrode materials for the next generation of energy storage systems.
Phase Change Ge-Rich Ge–Sb–Te/Sb2Te3 Core-Shell Nanowires by Metal Organic Chemical Vapor Deposition
Authors: Kumar Arun , Cecchini Raimondo , Wiemer Claudia , Mussi Valentina , De Simone Sara , Calarco Raffaella , Scuderi Mario , Nicotra Giuseppe , Longo Massimo
Published: December 2021

Ge-rich Ge–Sb–Te compounds are attractive materials for future phase change memories due to their greater crystallization temperature as it provides a wide range of applications. Herein, we report the self-assembled Ge-rich Ge–Sb–Te/Sb2Te3 core-shell nanowires grown by metal-organic chemical vapor deposition. The core Ge-rich Ge–Sb–Te nanowires were self-assembled through the vapor–liquid–solid mechanism, catalyzed by Au nanoparticles on Si (100) and SiO2/Si substrates; conformal overgrowth of the Sb2Te3 shell was subsequently performed at room temperature to realize the core-shell heterostructures. Both Ge-rich Ge–Sb–Te core and Ge-rich Ge–Sb–Te/Sb2Te3 core-shell nanowires were extensively characterized by means of scanning electron microscopy, high resolution transmission electron microscopy, X-ray diffraction, Raman microspectroscopy, and electron energy loss spectroscopy to analyze the surface morphology, crystalline structure, vibrational properties, and elemental composition.
The Role of Temperature on the Degree of End-Closing and Filling of Single-Walled Carbon Nanotubes
Authors: Kierkowicz Magdalena , Pach Elzbieta , Fraile Julio , Domingo Concepción , Ballesteros Belén , Tobias Gerard
Published: December 2021

Carbon nanotubes (CNTs), owing to their high surface area-to-volume ratio and hollow core, can be employed as hosts for adsorbed and/or encapsulated molecules. At high temperatures, the ends of CNTs close spontaneously, which is relevant for several applications, including catalysis, gas storage, and biomedical imaging and therapy. This study highlights the influence of the annealing temperature in the range between 400 and 1100 °C on the structure and morphology of single-walled CNTs. The nitrogen adsorption and density functional theory calculations indicate that the fraction of end-closed CNTs increases with temperature. Raman spectroscopy reveals that the thermal treatment does not alter the tubular structure. Insight is also provided into the efficacy of CNTs filling from the molten phase, depending on the annealing temperature. The CNTs are filled with europium (III) chloride and analyzed by using electron microscopy (scanning electron microscopy and high-resolution transmission electron microscopy) and energy-dispersive X-ray spectroscopy, confirming the presence of filling and closed ends. The filling yield increases with temperature, as determined by thermogravimetric analysis. The obtained results show that the apparent surface area of CNTs, fraction of closed ends, and amount of encapsulated payload can be tailored via annealing.
Synergetic Effect of Potassium Oxysalts on Combustion and Ignition of Al/CuO Composites
Authors: Ma Xiaohang , Zhao Wanjun , Le Wei , Li Jianxin , Chen Pengwan , Jiao Qingjie
Published: December 2021

In this study, we studied the synergetic effect of potassium oxysalts on combustion and ignition of nano aluminum (Al) and nano copper oxide (CuO) composites. Potassium periodate (KIO4) and potassium perchlorate (KClO4) are good oxidizers with high oxygen content and strong oxidizability. Different contents of KIO4 and KClO4 were added to nano Al/CuO and the composites were assembled by sonication. When the peak pressure of nano Al/CuO was increased ~5–13 times, the pressurization rate was improved by ~1–3 orders of magnitude, the ignition delay time was shortened by ~0.08 ms–0.52 ms and the reaction completeness was adjustable when 30–70% KIO4 and KClO4 were added into the composites. The reaction of Al/KIO4 and Al/KClO4 at a lower temperature was helpful to ignite the ternary composite. Meanwhile, CuO significantly reduced the peak temperature of oxygen released from the decomposition of KIO4 and KClO4. The synergetic effect of binary oxidizers made the combustion performance of the ternary composites better than that of the binary composites. The present work indicates that KIO4 and KClO4 are promising additives for nano Al/CuO to tune and promote the combustion performance. The ternary composites have potential application in energy devices and combustion apparatus.
The Effect of rGO-Doping on the Performance of SnO2/rGO Flexible Humidity Sensor
Authors: Yan Huangping , Chen Zilu , Zeng Linyuan , Wang Zijun , Zheng Gaofeng , Zhou Rui
Published: December 2021

The development of a flexible and high-performance humidity sensor is essential to expand its new applications, such as personal health monitoring and early diagnosis. In this work, SnO2/rGO nanocomposites were prepared by one-step hydrothermal method. The effect of rGO-doping on humidity sensing performance was investigated. Scanning electron microscopy, transmission electron microscopy, X-ray diffraction and Raman spectroscopy were used to characterize the nanostructure, morphology and chemical composition of SnO2/rGO nanocomposites. The SnO2/rGO humidity sensitive film was prepared by electrospinning on a polyimide film modified with gold electrodes. The humidity test results show that different doping ratios of rGO have different effects on humidity sensing properties. Among them, the sensor with 2 wt% rGO-doping has a high sensitivity (37,491.2%) within the humidity range as well as the fast response time (80 s) and recover time (4 s). Furthermore, the sensor with 2 wt% rGO-doping remains good flexibility and stability in the case of bending (1000 times). The sensitivity of the 2 wt% rGO-doping sensor at the bending radius (8 mm and 4 mm) is 48,219% and 91,898%, respectively. More importantly, the sensor could reflect different breathing states clearly and track breathing intervals as short as 3 s. The SnO2/rGO flexible humidity sensor with accuracy, flexibility and instantaneity as well as the facile fabrication strategy is conceivable to be applied in the potential application for human health real-time monitoring.
Analytical Performance and Validation of a Reliable Method Based on Graphite Furnace Atomic Absorption Spectrometry for the Determination of Gold Nanoparticles in Biological Tissues
Authors: Cadar Oana , Mocan Teodora , Roman Cecilia , Senila Marin
Published: December 2021

Gold nanoparticles (AuNPs) have a wide-ranging application and are widespread in samples with complex matrices; thus, efficient analytical procedures are necessary to identify and characterize this analyte. A sensitive analytical method for determination of AuNPs content in biological tissues, based on microwave-assisted acid wet digestion and graphite furnace atomic absorption spectrometry (GFAAS) validated in accordance with the requirements of Eurachem guideline and ISO 17025 standard, is presented in this study. The digestion procedure was optimized, and the figures of merit such as selectivity, limit of detection (0.43 µg L−1), limit of quantification (1.29 µg L−1, corresponding to 12.9 µg kg−1 in tissue sample, considering the digestion), working range, linearity, repeatability ((RSDr 4.15%), intermediate precision (RSDR 8.07%), recovery in accuracy study (97%), were methodically evaluated. The measurement uncertainty was assessed considering the main sources of uncertainties and the calculated relative expanded uncertainty (k = 2) was 12.5%. The method was applied for the determination of AuNPs in six biological tissues (liver, small intestine, heart, lungs, brain and kidneys) and the found concentrations were generally at low levels, close or lower than LOQ.
Efficacy of 4.0 mg versus 0.4 mg Folic Acid Supplementation on the Reproductive Outcomes: A Randomized Controlled Trial
Authors: Bortolus Renata , Filippini Francesca , Cipriani Sonia , Trevisanuto Daniele , Cavallin Francesco , Zanconato Giovanni , Somigliana Edgardo , Cesari Elena , Mastroiacovo Pierpaolo , Parazzini Fabio
Published: December 2021

Folic acid (FA) supplementation prevents neural tube defects (NTDs), but the effects on other reproductive outcomes are unclear. While common recommendation is 0.4 mg/day in addition to regular nutrition, the most appropriate dose of FA is still under debate. We investigated the effects of a higher dose of periconception FA on reducing adverse reproductive outcomes. In this multicenter double-blind randomized controlled trial (RCT), 1060 women (aged 18–44 years and planning a pregnancy) were randomly assigned to receive 4.0 mg or 0.4 mg of FA daily. The primary outcome was the occurrence of congenital malformations (CMs). A composite outcome including one or more adverse pregnancy outcomes was also evaluated. A total of 431 women had a natural conception within 1 year. The primary outcome occurred in 8/227 (3.5%) women receiving 4.0 mg FA and 9/204 (4.4%) women receiving 0.4 mg FA (RR 0.80; 95%CI 0.31 to 2.03). The composite outcome occurred in 43/227 (18.9%) women receiving 4.0 mg FA and 75/204 (36.8%) women receiving 0.4 mg FA (RR 0.51; 95%CI 0.40 to 0.68). FA 4.0 mg supplementation was not associated with different occurrence of CMs, compared to FA 0.4 mg supplementation. However, FA 4.0 mg supplementation was associated with lower occurrence of other adverse pregnancy outcomes.
Dietary Management of Heart Failure: DASH Diet and Precision Nutrition Perspectives
Authors: Wickman Brooke E. , Enkhmaa Byambaa , Ridberg Ronit , Romero Erick , Cadeiras Martin , Meyers Frederick , Steinberg Francene
Published: December 2021

Heart failure (HF) is a major health care burden increasing in prevalence over time. Effective, evidence-based interventions for HF prevention and management are needed to improve patient longevity, symptom control, and quality of life. Dietary Approaches to Stop Hypertension (DASH) diet interventions can have a positive impact for HF patients. However, the absence of a consensus for comprehensive dietary guidelines and for pragmatic evidence limits the ability of health care providers to implement clinical recommendations. The refinement of medical nutrition therapy through precision nutrition approaches has the potential to reduce the burden of HF, improve clinical care, and meet the needs of diverse patients. The aim of this review is to summarize current evidence related to HF dietary recommendations including DASH diet nutritional interventions and to develop initial recommendations for DASH diet implementation in outpatient HF management. Articles involving human studies were obtained using the following search terms: Dietary Approaches to Stop Hypertension (DASH diet), diet pattern, diet, metabolism, and heart failure. Only full-text articles written in English were included in this review. As DASH nutritional interventions have been proposed, limitations of these studies are the small sample size and non-randomization of interventions, leading to less reliable evidence. Randomized controlled interventions are needed to offer definitive evidence related to the use of the DASH diet in HF management.
Transdiagnostic Perspective of Impulsivity and Compulsivity in Obesity: From Cognitive Profile to Self-Reported Dimensions in Clinical Samples with and without Diabetes
Authors: Testa Giulia , Mora-Maltas Bernat , Camacho-Barcia Lucía , Granero Roser , Lucas Ignacio , Agüera Zaida , Jiménez-Murcia Susana , Baños Rosa , Bertaina-Anglade Valerie , Botella Cristina , Bulló Mònica , Casanueva Felipe F. , Dalsgaard Søren , Fernández-Real José-Manuel , Franke Barbara , Frühbeck Gema , Fitó Montserrat , Gómez-Martínez Carlos , Pintó Xavier , Poelmans Geert , Tinahones Francisco J. , Torre Rafael de la , Salas-Salvadó Jordi , Serra-Majem Lluis , Vos Stephanie , Wimberley Theresa , Fernández-Aranda Fernando
Published: December 2021

Impulsive and compulsive behaviors have both been observed in individuals with obesity. The co-occurrence of obesity and type 2 diabetes (T2D) is more strongly associated with impulsivity, although there are no conclusive results yet. A multidimensional assessment of impulsivity and compulsivity was conducted in individuals with obesity in the absence or presence of T2D, compared with healthy, normal-weight individuals, with highly impulsive patients (gambling disorders), and with highly compulsive patients (anorexia nervosa). Decision making and novelty seeking were used to measure impulsivity, and cognitive flexibility and harm avoidance were used for compulsivity. For impulsivity, patients with obesity and T2D showed poorer decision-making ability compared with healthy individuals. For compulsivity, individuals with only obesity presented less cognitive flexibility and high harm avoidance; these dimensions were not associated with obesity with T2D. This study contributes to the knowledge of the mechanisms associated with diabetes and its association with impulsive–compulsive behaviors, confirming the hypothesis that patients with obesity and T2D would be characterized by higher levels of impulsivity.
‘Old Is Gold’: How Traditional Indian Dietary Practices Can Support Pediatric Diabetes Management
Authors: Salis Sheryl , Virmani Anju , Priyambada Leena , Mohan Meena , Hansda Kajal , Beaufort Carine de
Published: December 2021

Nutrition is crucial for maintaining normal growth, development, and glycemic control in young people with diabetes (PwD). Undue restrictions cause nutrient deficiencies as well as poor adherence to meal plans. Widespread availability of low-cost, ultra-processed, and hyperpalatable food is further damaging. Most families struggle to find ways to provide nutritious, yet attractive, food with a low glycemic index (GI). India is one of the oldest continuous civilizations with a rich and diverse cultural and culinary heritage. Traditional dietary practices, including the centuries-old ‘Thali’ (meaning plate) concept, emphasize combinations (grains, lentils, vegetables, dairy, spices, prebiotics and probiotics, and fats) of local, seasonal, and predominantly plant-based ingredients. These practices ensure that all of the necessary food groups are provided and fit well with current evidence-based recommendations, including the International Society for Pediatric and Adolescent Diabetes (ISPAD) 2018 Guidelines. Techniques for the preparation, cooking, and preservation of food further impact the GI and nutrient availability. These practices benefit nutrient density, diet diversity, and palatability and thus improve adherence to meal plans and glycemic control. This narrative review describes the ancient wisdom, food composition, and culinary practices from across India which are still valuable today. These may be of benefit worldwide to improve glycemic control as well as quality of life, especially in PwD.