bluuebunny/crossref_metadata_2025 huggingface dataset:
ROR: Nuclear Receptor for Melatonin or Not?
Authors: Ma Haozhen , Kang Jun , Fan Wenguo , He Hongwen , Huang Fang
Published: May 2021

Whether the retinoic acid-related orphan receptor (ROR) is a nuclear receptor of melatonin remains controversial. ROR is inextricably linked to melatonin in terms of its expression, function, and mechanism of action. Additionally, studies have illustrated that melatonin functions analogous to ROR ligands, thereby modulating the transcriptional activity of ROR. However, studies supporting these interactions have since been withdrawn. Furthermore, recent crystallographic evidence does not support the view that ROR is a nuclear receptor of melatonin. Some other studies have proposed that melatonin indirectly regulates ROR activity rather than directly binding to ROR. This review aims to delve into the complex relationship of the ROR receptor with melatonin in terms of its structure, expression, function, and mechanism. Thus, we provide the latest evidence and views on direct binding as well as indirect regulation of ROR by melatonin, dissecting both viewpoints in-depth to provide a more comprehensive perspective on this issue.
A Computational Study of the S2 State in the Oxygen-Evolving Complex of Photosystem II by Electron Paramagnetic Resonance Spectroscopy
Authors: Baituti Bernard , Odisitse Sebusi
Published: May 2021

The S2 state produces two basic electron paramagnetic resonance signal types due to the manganese cluster in oxygen-evolving complex, which are influenced by the solvents, and cryoprotectant added to the photosystem II samples. It is presumed that a single manganese center oxidation occurs on S1 → S2 state transition. The S2 state has readily visible multiline and g4.1 electron paramagnetic resonance signals and hence it has been the most studied of all the Kok cycle intermediates due to the ease of experimental preparation and stability. The S2 state was studied using electron paramagnetic resonance spectroscopy at X-band frequencies. The aim of this study was to determine the spin states of the g4.1 signal. The multiline signal was observed to arise from a ground state spin ½ centre while the g4.1 signal generated at ≈140 K NIR illumination was proposed to arise from a spin 52 center with rhombic distortion. The ‘ground’ state g4.1 signal was generated solely or by conversion from the multiline. The data analysis methods used involved numerical simulations of the experimental spectra on relevant models of the oxygen-evolving complex cluster. A strong focus in this paper was on the ‘ground’ state g4.1 signal, whether it is a rhombic 52 spin state signal or an axial 32 spin state signal. The data supported an X-band CW-EPR-generated g4.1 signal as originating from a near rhombic spin 5/2 of the S2 state of the PSII manganese cluster.
Budesonide-Loaded Pectin/Polyacrylamide Hydrogel for Sustained Delivery: Fabrication, Characterization and In Vitro Release Kinetics
Authors: Pandey Manisha , Choudhury Hira , D/O Segar Singh Sahleni Kaur , Chetty Annan Naveenya , Bhattamisra Subrat Kumar , Gorain Bapi , Mohd Amin Mohd Cairul Iqbal
Published: May 2021

A single ulcerative colitis (UC) is a chronic inflammatory bowel disease (IBD) that causes inflammation of the colonic mucosa at the distal colon and rectum. The mainstay therapy involves anti-inflammatory immunosuppression based on the disease location and severity. The disadvantages of using systemic corticosteroids for UC treatment is the amplified risk of malignancies and infections. Therefore, topical treatments are safer as they have fewer systemic side effects due to less systemic exposure. In this context, pH sensitive and enzymatically triggered hydrogel of pectin (PC) and polyacrylamide (PAM) has been developed to facilitate colon-targeted delivery of budesonide (BUD) for the treatment of UC. The hydrogels were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), swelling ratio, and drug release. FT-IR spectroscopy confirmed the grafting as well loading of BUD in hydrogel. XRD showed the amorphous nature of hydrogel and increment in crystallinity after drug loading. On the other hand, SEM showed that the hydrogels exhibited a highly porous morphology, which is suitable for drug loading and also demonstrated a pH-responsive swelling behaviour, with decreased swelling in acidic media. The in-vitro release of BUD from the hydrogel exhibited a sustained release behaviour with non-ficken diffusion mechanism. The model that fitted best for BUD released was the Higuchi kinetic model. It was concluded that enzyme/pH dual-sensitive hydrogels are an effective colon-targeted delivery system for UC.
Small Molecules of Marine Origin as Potential Anti-Glioma Agents
Authors: Alves Ana , Costa Paulo , Pinto Madalena , Ferreira Domingos , Correia-da-Silva Marta
Published: May 2021

Marine organisms are able to produce a plethora of small molecules with novel chemical structures and potent biological properties, being a fertile source for discovery of pharmacologically active compounds, already with several marine-derived agents approved as drugs. Glioma is classified by the WHO as the most common and aggressive form of tumor on CNS. Currently, Temozolomide is the only chemotherapeutic option approved by the FDA even though having some limitations. This review presents, for the first time, a comprehensive overview of marine compounds described as anti-glioma agents in the last decade. Nearly fifty compounds were compiled in this document and organized accordingly to their marine sources. Highlights on the mechanism of action and ADME properties were included. Some of these marine compounds could be promising leads for the discovery of new therapeutic alternatives for glioma treatment.
Functional Pyrazolo[1,5-a]pyrimidines: Current Approaches in Synthetic Transformations and Uses As an Antitumor Scaffold
Authors: Arias-Gómez Andres , Godoy Andrés , Portilla Jaime
Published: May 2021

Pyrazolo[1,5-a]pyrimidine (PP) derivatives are an enormous family of N-heterocyclic compounds that possess a high impact in medicinal chemistry and have attracted a great deal of attention in material science recently due to their significant photophysical properties. Consequently, various researchers have developed different synthesis pathways for the preparation and post-functionalization of this functional scaffold. These transformations improve the structural diversity and allow a synergic effect between new synthetic routes and the possible applications of these compounds. This contribution focuses on an overview of the current advances (2015–2021) in the synthesis and functionalization of diverse pyrazolo[1,5-a]pyrimidines. Moreover, the discussion highlights their anticancer potential and enzymatic inhibitory activity, which hopefully could lead to new rational and efficient designs of drugs bearing the pyrazolo[1,5-a]pyrimidine core.
Elucidation of Antioxidant Compounds in Moroccan Chamaerops humilis L. Fruits by GC–MS and HPLC–MS Techniques
Authors: Cadi Hafssa El , Bouzidi Hajar El , Selama Ginane , Ramdan Btissam , Majdoub Yassine Oulad El , Alibrando Filippo , Arena Katia , Lovillo Miguel Palma , Brigui Jamal , Mondello Luigi , Cacciola Francesco , Salerno Tania M. G.
Published: May 2021

The aim of this study was to characterize the phytochemical content as well as the antioxidant ability of the Moroccan species Chamaerops humilis L. Besides crude ethanolic extract, two extracts obtained by sonication using two solvents with increased polarity, namely ethyl acetate (EtOAc) and methanol-water (MeOH-H2O) 80:20 (v/v), were investigated by both spectroscopy and chromatography methods. Between the two extracts, the MeOH-H2O one showed the highest total polyphenolic content equal to 32.7 ± 0.1 mg GAE/g DM with respect to the EtOAc extract (3.6 ± 0.5 mg GAE/g DM). Concerning the antioxidant activity of the two extracts, the EtOAc one yielded the highest value (1.9 ± 0.1 mg/mL) with respect to MeOH-H2O (0.4 ± 0.1 mg/mL). The C. humilisn-hexane fraction, analyzed by GC–MS, exhibited 69 compounds belonging to different chemical classes, with n-Hexadecanoic acid as a major compound (21.75%), whereas the polyphenolic profile, elucidated by HPLC–PDA/MS, led to the identification of a total of sixteen and thirteen different compounds in both EtOAc (major component: ferulic acid: 104.7 ± 2.52 µg/g) and MeOH-H2O extracts (major component: chlorogenic acid: 45.4 ± 1.59 µg/g), respectively. The attained results clearly highlight the potential of C. humilis as an important source of bioactive components, making it a valuable candidate to be advantageously added to the daily diet. Furthermore, this study provides the scientific basis for the exploitation of the Doum in the food, pharmaceutical and nutraceutical industries.
Polymer Scaffolds for Biomedical Applications in Peripheral Nerve Reconstruction
Authors: Zhang Meng , Li Ci , Zhou Li-Ping , Pi Wei , Zhang Pei-Xun
Published: May 2021

The nervous system is a significant part of the human body, and peripheral nerve injury caused by trauma can cause various functional disorders. When the broken end defect is large and cannot be repaired by direct suture, small gap sutures of nerve conduits can effectively replace nerve transplantation and avoid the side effect of donor area disorders. There are many choices for nerve conduits, and natural materials and synthetic polymers have their advantages. Among them, the nerve scaffold should meet the requirements of good degradability, biocompatibility, promoting axon growth, supporting axon expansion and regeneration, and higher cell adhesion. Polymer biological scaffolds can change some shortcomings of raw materials by using electrospinning filling technology and surface modification technology to make them more suitable for nerve regeneration. Therefore, polymer scaffolds have a substantial prospect in the field of biomedicine in future. This paper reviews the application of nerve conduits in the field of repairing peripheral nerve injury, and we discuss the latest progress of materials and fabrication techniques of these polymer scaffolds.
Protective Role of Vanillic Acid against Diethylnitrosamine- and 1,2-Dimethylhydrazine-Induced Hepatocarcinogenesis in Rats
Authors: Punvittayagul Charatda , Chariyakornkul Arpamas , Jarukamjorn Kanokwan , Wongpoomchai Rawiwan
Published: May 2021

This study aimed to evaluate the cancer chemopreventive activity of vanillic acid (VA) in diethylnitrosamine- and 1,2-dimethylhydrazine-induced liver and colon carcinogenesis in rats. VA did not induce the formation of hepatic glutathione S-transferase placental form (GST-P) positive foci and colonic aberrant crypt foci, demonstrating no carcinogenic activity. VA (75 mg kg−1 body weight) could significantly reduce the number and areas of hepatic GST-P positive foci when administered before carcinogen injections, but no such effect was seen when it was administered after carcinogen injection. No protection was seen in the colon when VA was treated before or after carcinogen injection. Immunohistochemical studies demonstrated the decreased expression of proliferating cell nuclear antigen and the induction of apoptosis. Mechanistic studies showed that VA significantly induced the expression of GSTA-5 and Nrf-2 genes, which are associated with the detoxification system. Likewise, the antiproliferative effect was noticed by the reduction of Cyclin D1 expression. The apoptotic activity may be due to the upregulation of Caspase-3 and Bad levels and downregulation of the Bcl-2 level. These data suggest that VA exhibited significant protection against diethylnitrosamine- and 1,2-dimethylhydrazine-induced hepatocarcinogenesis, which might be related to the induction of the detoxifying enzyme, the reduction of proliferation and the induction of apoptosis.
Synthesis of a Ni Complex Chelated by a [2.2]Paracyclophane-Functionalized Diimine Ligand and Its Catalytic Activity for Olefin Oligomerization
Authors: Takeuchi Daisuke , Tojo Yoshi-aki , Osakada Kohtaro
Published: May 2021

A diimine ligand having two [2.2]paracyclophanyl substituents at the N atoms (L1) was prepared from the reaction of amino[2.2]paracyclophane with acenaphtenequinone. The ligand reacts with NiBr2(dme) (dme: 1,2-dimethoxyethane) to form the dibromonickel complex with (R,R) and (S,S) configuration, NiBr2(L1). The structure of the complex was confirmed by X-ray crystallography. NiBr2(L1) catalyzes oligomerization of ethylene in the presence of methylaluminoxane (MAO) co-catalyst at 10–50 °C to form a mixture of 1- and 2-butenes after 3 h. The reactions for 6 h and 8 h at 25 °C causes further increase of 2-butene formed via isomerization of 1-butene and formation of hexenes. Reaction of 1-hexene catalyzed by NiBr2(L1)–MAO produces 2-hexene via isomerization and C12 and C18 hydrocarbons via oligomerization. Consumption of 1-hexene of the reaction obeys first-order kinetics. The kinetic parameters were obtained to be ΔG‡ = 93.6 kJ mol−1, ΔH‡ = 63.0 kJ mol−1, and ΔS‡ = −112 J mol−1deg−1. NiBr2(L1) catalyzes co-dimerization of ethylene and 1-hexene to form C8 hydrocarbons with higher rate and selectivity than the tetramerization of ethylene.
Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo[1,2-a] Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Conceptual DFT-Based Chemical Reactivity Descriptors and Pharmacokinetics Evaluation
Authors: Uppar Vijayakumar , Chandrashekharappa Sandeep , Shivamallu Chandan , P Sushma , Kollur Shiva Prasad , Ortega-Castro Joaquín , Frau Juan , Flores-Holguín Norma , Basarikatti Atiyaparveen I. , Chougala Mallikarjun , Mohan M Mrudula , Banuprakash Govindappa , Jayadev  , Venugopala Katharigatta N. , Nandeshwarappa Belakatte P. , Veerapur Ravindra , Al-Kheraif Abdulaziz A. , Elgorban Abdallah M. , Syed Asad , Mudnakudu-Nagaraju Kiran K. , Padmashali Basavaraj , Glossman-Mitnik Daniel
Published: May 2021

Candida albicans, an opportunistic fungal pathogen, frequently colonizes immune-compromised patients and causes mild to severe systemic reactions. Only few antifungal drugs are currently in use for therapeutic treatment. However, evolution of a drug-resistant C. albicans fungal pathogen is of major concern in the treatment of patients, hence the clinical need for novel drug design and development. In this study, in vitro screening of novel putative pyrrolo[1,2-a]quinoline derivatives as the lead drug targets and in silico prediction of the binding potential of these lead molecules against C. albicans pathogenic proteins, such as secreted aspartic protease 3 (SAP3; 2H6T), surface protein β-glucanase (3N9K) and sterol 14-alpha demethylase (5TZ1), were carried out by molecular docking analyses. Further, biological activity-based QSAR and theoretical pharmacokinetic analysis were analyzed. Here, in vitro screening of novel analogue derivatives as drug targets against C. albicans showed inhibitory potential in the concentration of 0.4 µg for BQ-06, 07 and 08, 0.8 µg for BQ-01, 03, and 05, 1.6 µg for BQ-04 and 12.5 µg for BQ-02 in comparison to the standard antifungal drug fluconazole in the concentration of 30 µg. Further, in silico analysis of BQ-01, 03, 05 and 07 analogues docked on chimeric 2H6T, 3N9K and 5TZ1 revealed that these analogues show potential binding affinity, which is different from the therapeutic antifungal drug fluconazole. In addition, these molecules possess good drug-like properties based on the determination of conceptual Density Functional Theory (DFT)-based descriptors, QSAR and pharmacokinetics. Thus, the study offers significant insight into employing pyrrolo[1,2-a]quinoline analogues as novel antifungal agents against C. albicans that warrants further investigation.
Potential of Carvacrol and Thymol in Reducing Biofilm Formation on Technical Surfaces
Authors: Walczak Maciej , Michalska-Sionkowska Marta , Olkiewicz Daria , Tarnawska Patrycja , Warżyńska Oliwia
Published: May 2021

Polyvinyl chloride (PVC), polypropylene (PP), polyethylene (PE), and stainless steel (SS) are commonly used in medicine and food production technologies. During contact with microorganisms on the surface of these materials, a microbial biofilm is formed. The biofilm structure is difficult to remove and promotes the development of pathogenic bacteria. For this reason, the inhibition of biofilm formation in medical and food production environments is very important. For this purpose, five naturally occurring compounds were used for antimicrobial screening tests. The two with the best antimicrobial properties were chosen to inhibit the biofilm formation of Staphylococcus aureus and Pseudomonas aeruginosa. After 3 days of exposure, thymol reduced the amount of biofilm of Pseudomonas aeruginosa within the range of 70–77% and 52–75% for Staphylococcus aureus. Carvacrol inhibited the formation of biofilms by up to 74–88% for Pseudomonas aeruginosa and up to 86–100% for Staphylococcus aureus. Those phenols decreased the enzyme activity of the biofilm by up to 40–100%. After 10 days of exposure to thymol, biofilm formation was reduced by 80–100% for Pseudomonas aeruginosa and by about 79–100% for Staphylococcus aureus. Carvacrol reduced the amount of biofilm by up to 91–100% for Pseudomonas aeruginosa and up to 95–100% for Staphylococcus aureus.
“On-The-Fly” Non-Adiabatic Dynamics Simulations on Photoinduced Ring-Closing Reaction of a Nucleoside-Based Diarylethene Photoswitch
Authors: Xu Dong-Hui , Li Laicai , Liu Xiang-Yang , Cui Ganglong
Published: May 2021

Nucleoside-based diarylethenes are emerging as an especial class of photochromic compounds that have potential applications in regulating biological systems using noninvasive light with high spatio-temporal resolution. However, relevant microscopic photochromic mechanisms at atomic level of these novel diarylethenes remain to be explored. Herein, we have employed static electronic structure calculations (MS-CASPT2//M06-2X, MS-CASPT2//SA-CASSCF) in combination with non-adiabatic dynamics simulations to explore the related photoinduced ring-closing reaction of a typical nucleoside-based diarylethene photoswitch, namely, PS-IV. Upon excitation with UV light, the open form PS-IV can be excited to a spectroscopically bright S1 state. After that, the molecule relaxes to the conical intersection region within 150 fs according to the barrierless relaxed scan of the C1–C6 bond, which is followed by an immediate deactivation to the ground state. The conical intersection structure is very similar to the ground state transition state structure which connects the open and closed forms of PS-IV, and therefore plays a crucial role in the photochromism of PS-IV. Besides, after analyzing the hopping structures, we conclude that the ring closing reaction cannot complete in the S1 state alone since all the C1–C6 distances of the hopping structures are larger than 2.00 Å. Once hopping to the ground state, the molecules either return to the original open form of PS-IV or produce the closed form of PS-IV within 100 fs, and the ring closing quantum yield is estimated to be 56%. Our present work not only elucidates the ultrafast photoinduced pericyclic reaction of the nucleoside-based diarylethene PS-IV, but can also be helpful for the future design of novel nucleoside-based diarylethenes with better performance.
The Effect of Calcium-Silicate Cements on Reparative Dentinogenesis Following Direct Pulp Capping on Animal Models
Authors: Andrei Mihai , Vacaru Raluca Paula , Coricovac Anca , Ilinca Radu , Didilescu Andreea Cristiana , Demetrescu Ioana
Published: May 2021

Dental pulp vitality is a desideratum for preserving the health and functionality of the tooth. In certain clinical situations that lead to pulp exposure, bioactive agents are used in direct pulp-capping procedures to stimulate the dentin-pulp complex and activate reparative dentinogenesis. Hydraulic calcium-silicate cements, derived from Portland cement, can induce the formation of a new dentin bridge at the interface between the biomaterial and the dental pulp. Odontoblasts are molecularly activated, and, if necessary, undifferentiated stem cells in the dental pulp can differentiate into odontoblasts. An extensive review of literature was conducted on MedLine/PubMed database to evaluate the histological outcomes of direct pulp capping with hydraulic calcium-silicate cements performed on animal models. Overall, irrespective of their physico-chemical properties and the molecular mechanisms involved in pulp healing, the effects of cements on tertiary dentin formation and pulp vitality preservation were positive. Histological examinations showed different degrees of dental pulp inflammatory response and complete/incomplete dentin bridge formation during the pulp healing process at different follow-up periods. Calcium silicate materials have the ability to induce reparative dentinogenesis when applied over exposed pulps, with different behaviors, as related to the animal model used, pulpal inflammatory responses, and quality of dentin bridges.
Combined Effect of Impregnation with an Origanum vulgare Infusion and Osmotic Treatment on the Shelf Life and Quality of Chilled Chicken Fillets
Authors: Giannakourou Maria C. , Poulis Stylianos , Konteles Spyridon J. , Dipla Akrivi , Lougovois Vladimiros P. , Kyrana Vassiliki , Proestos Charalampos , Sinanoglou Vassilia J.
Published: May 2021

The scope of this work is the study of a combined process including a dipping step into an oregano (Origanum vulgare ssp. hirtum) infusion (OV) followed by osmotic treatment of chicken fillets at 15 °C. Chicken fillets were immersed in an osmotic solution consisting of 40% glycerol and 5% NaCl with (OV/OD) and without (OD) prior antioxidant enrichment in a hypotonic oregano solution. A comparative shelf life study of all the samples (untreated, OD and OV/OD treated) was then conducted at 4 °C in order to assess the impact of this process on the quality and shelf life of chilled chicken fillets. Microbial growth, lipid oxidation and color/texture changes were measured throughout the chilled storage period. Rates of microbial growth of pretreated fillets were significantly reduced, mainly as a result of water activity decrease (OD step). Rancidity development closely related to off odors and sensory rejection was greatly inhibited in treated fillets owing to both inhibitory factors (OD and OV), with water-soluble phenols (OV step) exhibiting the main antioxidant effect. Shelf life of treated chicken fillets exhibited a more than three-fold increase as compared to the untreated samples based on both chemical and microbial spoilage indices, maintaining a positive and pleasant sensory profile throughout the storage period examined.
New Crystalline Salts of Nicotinamide Riboside as Food Additives
Authors: Schabert Günter , Haase Robert , Parris Jaclyn , Pala Laura , Hery-Barranco Adrian , Spingler Bernhard , Spitz Urs
Published: May 2021

NR+ is a highly effective vitamin B3 type supplement due to its unique ability to replenish NAD+ levels. While NR+ chloride is already on the market as a nutritional supplement, its synthesis is challenging, expensive, and low yielding, making it cumbersome for large-scale industrial production. Here we report the novel crystalline NR+ salts, d/l/dl-hydrogen tartrate and d/l/dl-hydrogen malate. Their high-yielding, one-pot manufacture does not require specific equipment and is suitable for multi-ton scale production. These new NR+ salts seem ideal for nutritional applications due to their bio-equivalence compared to the approved NR+ chloride. In addition, the crystal structures of all stereoisomers of NR+ hydrogen tartrate and NR+ hydrogen malate and a comparison to the known NR+ halogenides are presented.
Antibacterial Effects of Essential Oils of Seven Medicinal-Aromatic Plants Against the Fish Pathogen Aeromonas veronii bv. sobria: To Blend or Not to Blend?
Authors: Mandalakis Manolis , Anastasiou Thekla I. , Martou Natalia , Keisaris Sofoklis , Greveniotis Vasileios , Katharios Pantelis , Lazari Diamanto , Krigas Nikos , Antonopoulou Efthimia
Published: May 2021

Despite progress achieved, there is limited available information about the antibacterial activity of constituents of essential oils (EOs) from different medicinal-aromatic plants (MAPs) against fish pathogens and the complex interactions of blended EOs thereof. The present study aimed to investigate possible synergistic antimicrobial effects of EOs from seven Greek MAPs with strong potential against Aeromonas veronii bv. sobria, a fish pathogen associated with aquaculture disease outbreaks. The main objective was to evaluate whether blending of these EOs can lead to increased antimicrobial activity against the specific microorganism. A total of 127 combinations of EOs were prepared and their effect on A. veronii bv. sobria growth was tested in vitro. We examined both the inhibitory and bactericidal activities of the individual EOs and compared them to those of the blended EOs. The vast majority of the investigated combinations exhibited significant synergistic and additive effects, while antagonistic effects were evident only in a few cases, such as the mixtures containing EOs from rosemary, lemon balm and pennyroyal. The combination of EOs from Greek oregano and wild carrot, as well as the combinations of those two with Spanish oregano or savoury were the most promising ones. Overall, Greek oregano, savoury and Spanish oregano EOs were the most effective ones when applied either in pure form or blended with other EOs.
Mango (Mangifera indica L.) Polyphenols: Anti-Inflammatory Intestinal Microbial Health Benefits, and Associated Mechanisms of Actions
Authors: Kim Hyemee , Castellon-Chicas Maria Joselyn , Arbizu Shirley , Talcott Stephen T. , Drury Nicholas L. , Smith Shayna , Mertens-Talcott Susanne U.
Published: May 2021

Mango is rich in polyphenols including gallotannins and gallic acid, among others. The bioavailability of mango polyphenols, especially polymeric gallotannins, is largely dependent on the intestinal microbiota, where the generation of absorbable metabolites depends on microbial enzymes. Mango polyphenols can favorably modulate bacteria associated with the production of bioactive gallotannin metabolites including Lactobacillus plantarum, resulting in intestinal health benefits. In several studies, the prebiotic effects of mango polyphenols and dietary fiber, their potential contribution to lower intestinal inflammation and promotion of intestinal integrity have been demonstrated. Additionally, polyphenols occurring in mango have some potential to interact with intestinal and less likely with hepatic enzymes or transporter systems. This review provides an overview of interactions of mango polyphenols with the intestinal microbiome, associated health benefits and underlying mechanisms.
Photothermal Response Induced by Nanocage-Coated Artificial Extracellular Matrix Promotes Neural Stem Cell Differentiation
Authors: Jung Seunghyun , Harris Nathaniel , Niyonshuti Isabelle I. , Jenkins Samir V. , Hayar Abdallah M. , Watanabe Fumiya , Jamshidi-Parsian Azemat , Chen Jingyi , Borrelli Michael J. , Griffin Robert J.
Published: May 2021

Strategies to increase the proportion of neural stem cells that differentiate into neurons are vital for therapy of neurodegenerative disorders. In vitro, the extracellular matrix composition and topography have been found to be important factors in stem cell differentiation. We have developed a novel artificial extracellular matrix (aECM) formed by attaching gold nanocages (AuNCs) to glass coverslips. After culturing rat neural stem cells (rNSCs) on these gold nanocage-coated surfaces (AuNC-aECMs), we observed that 44.6% of rNSCs differentiated into neurons compared to only 27.9% for cells grown on laminin-coated glass coverslips. We applied laser irradiation to the AuNC-aECMs to introduce precise amounts of photothermally induced heat shock in cells. Our results showed that laser-induced thermal stimulation of AuNC-aECMs further enhanced neuronal differentiation (56%) depending on the laser intensity used. Response to these photothermal effects increased the expression of heat shock protein 27, 70, and 90α in rNSCs. Analysis of dendritic complexity showed that this thermal stimulation promoted neuronal maturation by increasing dendrite length as thermal dose was increased. In addition, we found that cells growing on AuNC-aECMs post laser irradiation exhibited action potentials and increased the expression of voltage-gated Na+ channels compared to laminin-coated glass coverslips. These results indicate that the photothermal response induced in cells growing on AuNC-aECMs can be used to produce large quantities of functional neurons, with improved electrochemical properties, that can potentially be transplanted into a damaged central nervous system to provide replacement neurons and restore lost function.
Self-Consistent Schrödinger-Poisson Study of Electronic Properties of GaAs Quantum Well Wires with Various Cross-Sectional Shapes
Authors: Gil-Corrales John A. , Vinasco Juan A. , Radu Adrian , Restrepo Ricardo L. , Morales Alvaro L. , Mora-Ramos Miguel E. , Duque Carlos A.
Published: May 2021

Quantum wires continue to be a subject of novel applications in the fields of electronics and optoelectronics. In this work, we revisit the problem of determining the electron states in semiconductor quantum wires in a self-consistent way. For that purpose, we numerically solve the 2D system of coupled Schrödinger and Poisson equations within the envelope function and effective mass approximations. The calculation method uses the finite-element approach. Circle, square, triangle and pentagon geometries are considered for the wire cross-sectional shape. The features of self-consistent band profiles and confined electron state spectra are discussed, in the latter case, as functions of the transverse wire size and temperature. Particular attention is paid to elucidate the origin of Friedel-like oscillations in the density of carriers at low temperatures.
Biomaterials Tailoring at the Nanoscale for Tissue Engineering and Advanced Therapies
Authors: Boffito Monica , Ciardelli Gianluca
Published: May 2021

The definition of the term “biomaterial” dates back to 1991, during the 2nd Consensus Conference on the Definitions in Biomaterials organized by the European Society of Biomaterials in Chester (UK) [...]
COVID the Catalyst for Evolving Professional Role Identity? A Scoping Review of Global Pharmacists’ Roles and Services as a Response to the COVID-19 Pandemic
Authors: Watson Kaitlyn E. , Schindel Theresa J. , Barsoum Marina E. , Kung Janice Y.
Published: May 2021

The COVID-19 pandemic requires a range of healthcare services to meet the needs of society. The objective was to explore what is known about the roles and services performed by frontline pharmacists during the first year of the COVID-19 pandemic. A scoping review was conducted of frontline pharmacists’ roles and services during the first year of the COVID-19 pandemic. A medical librarian conducted comprehensive searches in five bibliographic databases—MEDLINE (via Ovid), Embase (Ovid), CINAHL, Scopus, and Web of Science Core Collection for articles published between December 2019 and December 2020. The initial search retrieved 3269 articles. After removing duplicates, 1196 articles titles and abstracts were screened, 281 full texts were reviewed for eligibility, and 63 articles were included. This scoping review presents a conceptual framework model of the different layers made visible by COVID-19 of pharmacist roles in public health, information, and medication management. It is theorized that there is an invisible layer of change representing evolving professional role identity that may influence permanent role change following the pandemic. Thus, the pharmacy profession needs to build upon the lessons and experiences of this global pandemic and not let the momentum of the visible and invisible changes go to waste.
Professional Virtues for a Responsible Adaptation to Sea Level Rise
Authors: Wedin Anna
Published: May 2021

In the field of responsibility and climate change, much attention has been paid to actions and what we need to do in order to take responsibility. This paper shifts the perspective from what we should do to how we should be in order to be responsible. Looking at the case of local adaptation to sea level rise, the question of what characterizes a responsible planner is addressed. Departing from the idea of professional virtues, aspirational characteristics are extrapolated from three codes of ethics for planners. The identified virtues are discussed in relation to the central challenges of adaptation to sea level rise, giving an indication of which virtues are most important in this given context. When placing the responsible planner in an institutional context, it is evident that while a virtue perspective should not replace a system analysis, it provides a valuable complement to the traditional action-focused discourse on responsible adaptation.
The Effect of Foliar and Ground-Applied Essential Nutrients on Huanglongbing-Affected Mature Citrus Trees
Authors: Atta Alisheikh A. , Morgan Kelly T. , Kadyampakeni Davie M. , Mahmoud Kamal A.
Published: May 2021

The fate of foliar and ground-applied essential nutrients is the least studied topic under citrus greening or Huanglongbing (HLB)-affected citrus, which is inherently suffering from severe root decline because of HLB-associated problems. The objective of this study was to evaluate if ground-applied coupled with foliar spray of essential nutrients can reverse the decline in tree growth and understand the fate of the nutrients in the soil-root-tree interfaces. The treatments were arranged in a split-split plot design in which nitrogen (N) was ground-applied in 20 splits biweekly and Mn, Zn, and B were foliar and /or ground-applied in three splits following the spring, summer, and late summer flush seasons. Soil nutrients in three depths (0–15, 15–30, and 30–45 cm), root, and leaf nutrient concentrations of the essential nutrients, leaf area index (LAI), and tree canopy volume (TCV) data were studied twice (spring and summer) for two years. A significantly higher soil NH4-N and NO3-N concentrations were detected in the topsoil depth than the two lower soil depths (15–30 and 30–45 cm) indicating lesser nutrient leaching as trees received moderate (224 kg ha−1) N rate. Except for soil zinc (Zn) concentration, all the nutrient concentrations were significantly higher in the topsoil (0–15 cm), compared with two lower soil depths indicating that Zn was intricate by changes in soil environmental conditions, root acquisition, and/or leaching to lower soil depth. Leaf N concentration significantly increased over time following seasonal environmental fluctuations, tree growth, and development. Thus, leaf N concentration remained above the optimum nutrient range implying lower N requirement under irrigation scheduling with SmartIrrigation, an App used to determine the daily irrigation duration to meet tree water requirement and split fertigation techniques. Root Manganese (Mn) and Zn concentrations were significantly higher in the root tissues of the treated than the control trees and translocated to the leaves accordingly. Meanwhile, a significantly higher LAI for trees budded on Swingle (Swc) rootstock however, larger TCV for trees budded on Volkameriana (Volk) rootstocks. The trees had significantly larger TCV when the trees received a moderate N rate during early study years and under foliar 9 kg ha−1 coupled with the ground 9 kg ha−1 Mn and Zn treatments during the late study years. Therefore, split ground application of 224 kg ha−1 of N, foliar applied 9 kg ha−1 coupled with ground-applied 9 kg ha−1 Mn and Zn were the suggested rates to sustain the essential leaf nutrient concentration within the optimum ranges and improve the deterioration of vegetative growth associated with HLB-induced problems of citrus trees.
Multifunctional Pd-Based Nanocomposites with Designed Structure from In Situ Growth of Pd Nanoparticles and Polyether Block Amide Copolymer
Authors: Dal Pont Kevin , Serghei Anatoli , Espuche Eliane
Published: May 2021

Nanocomposites containing palladium nanoparticles were synthesized by in situ generation route from palladium acetate and a polyether block amide matrix with the aim to obtain materials with specific nanoparticle location and function properties. The chosen Pebax matrix was composed of a continuous soft phase containing dispersed semi-crystalline rigid domains. Nanocomposite films with Pd amount up to 30 wt% (corresponding to 3.5 vol%) were directly prepared from the palladium precursor and the copolymer matrix through a solvent cast process. The microstructure of the films was investigated by microcalorimetry, X-ray diffraction analyses and transmission electron microscopy. The nanocomposites’ function properties in terms of electrical conductivity and interaction towards hydrogen were studied as a function of the palladium content. It was shown that the spherical crystalline Pd nanoparticles that were in situ formed were located in the continuous soft phase of the copolymer matrix. They did not induce modification of Pebax microstructure and chain mobility. The specific location of the metal nanoparticles within the copolymer matrix associated with their low size allowed obtaining conductive materials for Pd amount equal to 3.5 vol%. Moreover, the affinity towards hydrogen evidenced from hydrogen permeation experiments made this nanocomposite series promising for further development in sensing applications.
Evidence of Predictive Power and Experimental Relevance of Weak-Values Theory
Authors: Chatzidimitriou-Dreismann C. Aris
Published: May 2021

The concepts of Weak Values (WV) and Two-State Vector Formalism (TSVF) appear to motivate new experiments and to offer novel insights into dynamical processes in various materials of several scientific and technological fields. To support this view, here we consider the dynamics of hydrogen atoms and/or molecules in nanostructured materials like e.g., carbon nanotubes. The experimental method applied is incoherent scattering of thermal (i.e., non-relativistic) neutrons (INS). In short, the main finding consists in the following effect: the measured energy and momentum transfers are shown to contradict even qualitatively the associated expectations of conventional scattering theory. This effect was recently observed in INS experiments, e.g., in H2 adsorbed in carbon nanotubes, where a large momentum transfer deficit was found. Due to the broad abundance of hydrogen, these findings may be also of technological importance, since they indicate a considerably enhanced H mobility in specific structured material environments. A new INS experiment is proposed concerning the H mobility of an ultra-fast proton conductor (H3OSbTeO6) being of technological relevance. Further neutron scattering investigations on other systems (metallic hydrides and H2 encapsulated inside C60) are proposed. As concerns theoretical implications, the analysis of the experimental results strongly supports the view that the wavefunction (or state vector) represents an ontological physical entity of a single quantum system.
LiF Nanoparticles Enhance Targeted Degradation of Organic Material under Low Dose X-ray Irradiation
Authors: Maye Felix , Turak Ayse
Published: May 2021

The targeted irradiation of structures by X-rays has seen application in a variety of fields. Herein, the use of 5–10 nm LiF nanoparticles to locally enhance the degradation of an organic thin film, diindenoperylene, under hard X-ray irradiation, at relatively low ionizing radiation doses, is shown. X-ray reflectivity analysis indicated that the film thickness increased 12.04 Å in air and 11.34 Å in a helium atmosphere, under a radiation dose of ∼65 J/cm2 for 3 h illumination with a bi-layer structure that contained submonolayer coverage of thermally evaporated LiF. This was accompanied by significant modification of the surface topography for the organic film, which initially formed large flat islands. Accelerated aging experiments suggested that localized heating was not a major mechanism for the observed changes, suggesting a photochemical mechanism due to the formation of reactive species from LiF under irradiation. As LiF has a tendency to form active defects under radiation across the energy spectrum, this could could open a new direction to explore the efficacy of LiF or similar optically active materials that form electrically active defects under irradiation in various applications that could benefit from enhanced activity, such as radiography or targeted X-ray irradiation therapies.
Utilization of the Iconography of Buddhist Prints during the Joseon Dynasty—Focusing on “the Listener” in Sakyamuni Preaching Paintings
Authors: Kim Jahyun
Published: May 2021

This paper focuses on the iconography of “the Listener” in Buddhist prints that was adopted in Joseon dynasty Sakyamuni Preaching paintings. Regarding change in the Listener iconography from bodhisattva form to monk form, diverse research has been conducted on the Listener’s identity and origin. However, existing studies are limited as they fail to consider the circumstances of the time this iconography was first adopted and trends in Joseon Buddhism. As the first Joseon print where the Listener in bodhisattva form appeared was based on a print from the Chinese Ming dynasty, and considering trends in publication of Buddhist prints in China where pictures of the Buddha preaching were used repeatedly in sutras regardless of the contents, this paper argues that the Listener should not be identified with any particular figure and examines the current state and characteristics of Joseon Buddhist paintings where the Listener appears. It also explores the possibility that the Listener’s change from bodhisattva form to monk form was driven by monk artists such as Myeongok, who were exposed to diverse iconography as they participated in creating both Buddhist paintings and prints in a situation where monks who had received systematic education gained a new awareness of iconography.
Achieving Precise Spectral Analysis and Imaging Simultaneously with a Mode-Resolved Dual-Comb Interferometer
Authors: Deng Zejiang , Liu Yang , Zhu Zhiwei , Luo Daping , Gu Chenglin , Zuo Zhong , Xie Gehui , Li Wenxue
Published: May 2021

In this paper, we report a scheme providing precise spectral analysis and surface imaging, simultaneously, based on a high-coherence dual-comb interferometer. With two tightly phase-locking frequency combs, we demonstrate a high-coherence dual-comb interferometer (DCI) covering 188 to 195 THz (1538.5 to 1595.7 nm) with comb-tooth resolution and a max spectral signal-to-noise ratio (SNR) of 159.7. The combination of the high-coherence dual-comb spectrometer and a reference arm simultaneously enables gas absorption spectroscopy and for the absolute distance information to be obtained in one measurement. As a demonstration, we measure the spectrum of CO2 and CO. From the same interferograms, we demonstrate that distance measurement, by time-of-flight (TOF), can be resolved with an rms precision of 0.53 μm after averaging 140 images and a measurement time of 1 s. Finally, we demonstrate that non-contact surface imaging, using 2D mechanical scanning, reaches lateral resolution of 40 μm. The longitudinal precision is 0.68 μm with a measurement time of 0.5 s. It verifies that DCS has the potential to be applied in standoff detection, environmental pollution monitors, and remote sensing.
Deep Learning for Gravitational-Wave Data Analysis: A Resampling White-Box Approach
Authors: Morales Manuel D. , Antelis Javier M. , Moreno Claudia , Nesterov Alexander I.
Published: May 2021

In this work, we apply Convolutional Neural Networks (CNNs) to detect gravitational wave (GW) signals of compact binary coalescences, using single-interferometer data from real LIGO detectors. Here, we adopted a resampling white-box approach to advance towards a statistical understanding of uncertainties intrinsic to CNNs in GW data analysis. We used Morlet wavelets to convert strain time series to time-frequency images. Moreover, we only worked with data of non-Gaussian noise and hardware injections, removing freedom to set signal-to-noise ratio (SNR) values in GW templates by hand, in order to reproduce more realistic experimental conditions. After hyperparameter adjustments, we found that resampling through repeated k-fold cross-validation smooths the stochasticity of mini-batch stochastic gradient descent present in accuracy perturbations by a factor of 3.6. CNNs are quite precise to detect noise, 0.952 for H1 data and 0.932 for L1 data; but, not sensitive enough to recall GW signals, 0.858 for H1 data and 0.768 for L1 data—although recall values are dependent on expected SNR. Our predictions are transparently understood by exploring tthe distribution of probabilistic scores outputted by the softmax layer, and they are strengthened by a receiving operating characteristic analysis and a paired-sample t-test to compare with a random classifier.
Application of a Drone Magnetometer System to Military Mine Detection in the Demilitarized Zone
Authors: Yoo Lee-Sun , Lee Jung-Han , Lee Yong-Kuk , Jung Seom-Kyu , Choi Yosoon
Published: May 2021

We propose a magnetometer system fitted on an unmanned aerial vehicle (UAV, or drone) and a data-processing method for detecting metal antipersonnel landmines (M16) in the demilitarized zone (DMZ) in Korea, which is an undeveloped natural environment. The performance of the laser altimeter was improved so that the drone could fly at a low and stable altitude, even in a natural environment with dust and bushes, and a magnetometer was installed on a pendulum to minimize the effects of magnetic noise and vibration from the drone. At a flight altitude of 1 m, the criterion for M16 is 5 nT. Simple low-pass filtering eliminates magnetic swing noise due to pendulum motion, and the moving average method eliminates changes related to the heading of the magnetometer. Magnetic exploration was conducted in an actual mine-removal area near the DMZ in Korea, with nine magnetic anomalies of more than 5 nT detected and a variety of metallic substances found within a 1-m radius of each detection site. The proposed UAV-based landmine detection system is expected to reduce risk to detection personnel and shorten the landmine-detection period by providing accurate scientific information about the detection area prior to military landmine-detection efforts.
Development and Evaluation of a Quantitative Fluorescent Lateral Flow Immunoassay for Cystatin-C, a Renal Dysfunction Biomarker
Authors: Natarajan Satheesh , DeRosa Maria C. , Shah Malay Ilesh , Jayaraj Joseph
Published: May 2021

The diagnosis, prognosis, and control of chronic kidney disease rely on an understanding of the glomerular filtration rate (GFR). The renal clearance of the cystatin-C is closely associated with the GFR. Cystatin-C is a more suitable GFR marker than the commonly used creatinine. General techniques for cystatin-C calculation, such as particle-enhanced turbidimetric and nephelometric assay, are time-consuming and tedious. Here, we propose a rapid, quantitative immunoassay for the detection of cystatin-C. A fluorescence-based lateral-flow kit was developed in a sandwich format by using a monoclonal antibody. A Linear calibration was obtained over the clinical diagnostic range of 0.023–32 µg/mL and the limit of detection (LOD) was 0.023 µg/mL and the limit of quantification (LOQ) was 0.029 µg/mL. Average recoveries from spiked urine samples ranged from 96–100% and the coefficient of variation was less than 4% for both intra and inter-day assays with excellent repeatability. With the comparison with an ELISA kit, the developed kit is highly sensitive, performs well over the detection range, provides repeatable results in a short time, and can easily be used at point-of-care (POC), making it an ideal candidate for rapid testing in early detection, community screening for renal function disorders.