bluuebunny/crossref_metadata_2025 huggingface dataset:
Using Cu as a Spacer to Fabricate and Control the Porosity of Titanium Zirconium Based Bulk Metallic Glass Foams for Orthopedic Implant Applications
Authors: Wong Pei-Chun , Song Sin-Mao , Tsai Pei-Hua , Maqnun Muhammad Jauharul , Wang Wei-Ru , Wu Jia-Lin , Jang Shian-Ching (Jason)
Published: March 2022

In this study, a porous titanium zirconium (TiZr)-based bulk metallic foam was successfully fabricated using the Cu spacer by employing the hot press method. TiZr-based bulk metallic foams with porosities ranging from 0% to 50% were fabricated and analyzed. The results indicate that thermal conductivity increased with the addition of Cu spacer; the increased thermal conductivity reduced the holding time in the hot press method. Moreover, the compressive strength decreased from 1261 to 76 MPa when the porosity of the TiZr-based bulk metallic foam increased to 50%, and the compressive strength was predictable. In addition, the foam demonstrated favorable biocompatibility in cell viability, cell migration capacity, and calcium deposition tests. Moreover, the pore size of the porous TiZr-based bulk metallic foam was around 120 µm. In conclusion, TiZr-based bulk metallic foam has favorable biocompatibility, mechanical property controllability, and porous structure for bone ingrowth and subsequent enhanced osteointegration. This porous TiZr-based bulk metallic foam has great potential as an orthopedic implant to enhance bone healing and decrease healing time.
Flexible Sol-Gel—Processed Y2O3 RRAM Devices Obtained via UV/Ozone-Assisted Photochemical Annealing Process
Authors: Kim Hyeon-Joong , Kim Do-Won , Lee Won-Yong , Kim Kyoungdu , Lee Sin-Hyung , Bae Jin-Hyuk , Kang In-Man , Kim Kwangeun , Jang Jaewon
Published: March 2022

Flexible indium tin oxide (ITO)/Y2O3/Ag resistive random access memory (RRAM) devices were successfully fabricated using a thermal-energy-free ultraviolet (UV)/ozone-assisted photochemical annealing process. Using the UV/ozone-assisted photochemical process, the organic residue can be eliminated, and thinner and smother Y2O3 films than those formed using other methods can be fabricated. The flexible UV/ozone-assisted photochemical annealing process-based ITO/Y2O3/Ag RRAM devices exhibited the properties of conventional bipolar RRAM without any forming process. Furthermore, the pure and amorphous-phase Y2O3 films formed via this process showed a decreased leakage current and an increased high-resistance status (HRS) compared with the films formed using other methods. Therefore, RRAM devices can be realized on plastic substrates using a thermal-energy-free UV/ozone-assisted photochemical annealing process. The fabricated devices exhibited a resistive window (ratio of HRS/low-resistance status (LRS)) of >104, with the HRS and LRS values remaining almost the same (i.e., limited deterioration occurred) for 104 s and up to 102 programming/erasing operation cycles.
Characterization of Biological Properties of Dental Pulp Stem Cells Grown on an Electrospun Poly(l-lactide-co-caprolactone) Scaffold
Authors: Bar Julia K. , Kowalczyk Tomasz , Grelewski Piotr G. , Stamnitz Sandra , Paprocka Maria , Lis Joanna , Lis-Nawara Anna , An Seongpil , Klimczak Aleksandra
Published: March 2022

Poly(l-lactide-co-caprolactone) (PLCL) electrospun scaffolds with seeded stem cells have drawn great interest in tissue engineering. This study investigated the biological behavior of human dental pulp stem cells (hDPSCs) grown on a hydrolytically-modified PLCL nanofiber scaffold. The hDPSCs were seeded on PLCL, and their biological features such as viability, proliferation, adhesion, population doubling time, the immunophenotype of hDPSCs and osteogenic differentiation capacity were evaluated on scaffolds. The results showed that the PLCL scaffold significantly supported hDPSC viability/proliferation. The hDPSCs adhesion rate and spreading onto PLCL increased with time of culture. hDPSCs were able to migrate inside the PLCL electrospun scaffold after 7 days of seeding. No differences in morphology and immunophenotype of hDPSCs grown on PLCL and in flasks were observed. The mRNA levels of bone-related genes and their proteins were significantly higher in hDPSCs after osteogenic differentiation on PLCL compared with undifferentiated hDPSCs on PLCL. These results showed that the mechanical properties of a modified PLCL mat provide an appropriate environment that supports hDPSCs attachment, proliferation, migration and their osteogenic differentiation on the PLCL scaffold. The good PLCL biocompatibility with dental pulp stem cells indicates that this mat may be applied in designing a bioactive hDPSCs/PLCL construct for bone tissue engineering.
Attention Measurement of an Autism Spectrum Disorder User Using EEG Signals: A Case Study
Authors: Esqueda-Elizondo José Jaime , Juárez-Ramírez Reyes , López-Bonilla Oscar Roberto , García-Guerrero Enrique Efrén , Galindo-Aldana Gilberto Manuel , Jiménez-Beristáin Laura , Serrano-Trujillo Alejandra , Tlelo-Cuautle Esteban , Inzunza-González Everardo
Published: March 2022

Autism Spectrum Disorder (ASD) is a neurodevelopmental life condition characterized by problems with social interaction, low verbal and non-verbal communication skills, and repetitive and restricted behavior. People with ASD usually have variable attention levels because they have hypersensitivity and large amounts of environmental information are a problem for them. Attention is a process that occurs at the cognitive level and allows us to orient ourselves towards relevant stimuli, ignoring those that are not, and act accordingly. This paper presents a methodology based on electroencephalographic (EEG) signals for attention measurement in a 13-year-old boy diagnosed with ASD. The EEG signals are acquired with an Epoc+ Brain–Computer Interface (BCI) via the Emotiv Pro platform while developing several learning activities and using Matlab 2019a for signal processing. For this article, we propose to use electrodes F3, F4, P7, and P8. Then, we calculate the band power spectrum density to detect the Theta Relative Power (TRP), Alpha Relative Power (ARP), Beta Relative Power (BRP), Theta–Beta Ratio (TBR), Theta–Alpha Ratio (TAR), and Theta/(Alpha+Beta), which are features related to attention detection and neurofeedback. We train and evaluate several machine learning (ML) models with these features. In this study, the multi-layer perceptron neural network model (MLP-NN) has the best performance, with an AUC of 0.9299, Cohen’s Kappa coefficient of 0.8597, Matthews correlation coefficient of 0.8602, and Hamming loss of 0.0701. These findings make it possible to develop better learning scenarios according to the person’s needs with ASD. Moreover, it makes it possible to obtain quantifiable information on their progress to reinforce the perception of the teacher or therapist.
Positive Role of Delta Neutrophil Index (DNI) as a Prodiagnostic Marker in Cecal Ligation and Puncture (CLP)-Induced Sepsis Murine Model
Authors: Lee Hyungdon , Lim Jae Min , Lee Jongwook , Kim Soo-Ki , Lee Taehun
Published: March 2022

Sepsis is an emergent infectious disease and a leading cause of death despite immediate intervention. While Delta neutrophil index (DNI) and myeloperoxidase (MPO) are known as a prodiagnostic marker of sepsis, the preclinical evidence of the best marker of sepsis is unclear. For this, using a well-designed cecal ligation and puncture (CLP)-induced sepsis mouse model, we comparatively measured the level and cost-effectiveness of sepsis biomarkers such as DNI, myeloperoxidase (MPO), procalcitonin (PCT), and tumor necrosis factor-alpha (TNF-α). First, we found that the optimal time point for early detection is at 6 h, 24 h post-CLP. Strikingly, the peak level and fold change of DNI was revealed at 24 h, further showing the best fold change as compared with other biomarker levels. Given the fold change at 6, 24 h, PCT was next to DNI. Third, a cost-effectiveness survey showed that DNI was the best, with PCT next. Further, DNI level was moderate positively associated with PCT (ρ = 0.697, p = 0.012) and TNF-α (ρ = 0.599, p = 0.040). Collectively, these data indicate that DNI in CLP-induced sepsis mice is as effective as the existent inflammatory biomarkers such as MPO, PCT and TNF-α to predict the prognosis of sepsis. This might have clinically important implications that DNI is cost effective, thus quickly and rationally applying to diverse types of imminent sepsis regardless of species. This might be the first report on the validity of DNI in preclinical CLP-induced murine sepsis.
Total Endovascular Aortic Arch Repair: From Dream to Reality
Authors: D’Onofrio Augusto , Caraffa Raphael , Cibin Giorgia , Antonello Michele , Gerosa Gino
Published: March 2022

The gold-standard therapy for the treatment of aortic arch pathologies is conventional open surgery. Recently, total endovascular aortic arch replacement with branched stent-grafts has been introduced into clinical practice with the aim of reducing invasiveness especially in selected high-risk patients. The aim of this review is to describe the two most commonly used branched devices for endovascular arch stent-grafting: Nexus (Endospan, Herzlia, Israle) and RelayBranch (Terumo Aortic, Glasgow, United Kingdom). Nexus is a CE-certified off-the-shelf, single branch, double stent graft system. It consists of two different components: a main module for the aortic arch and the descending aorta with a side-branch for the brachiocephalic artery (BCA), and a curved module for the ascending aorta that lands into the sino-tubular junction and connects to the main module through a side-facing self-protecting sleeve. Nexus may be used in urgent-emergency cases and also in patients with only one suitable supra-aortic target vessel but, on the other hand, it makes cerebral blood flow dependent on one source vessel only. The RelayBranch Thoracic Stent-Graft System is a custom made, double branched endograft with a wide window on its superior portion to accommodate two inner tunnels for BCA and left common carotid artery connection; bilateral cervical accesses are generally used to advance guidewires for catheterization of the inner tunnels in a retrograde fashion. RelayBranch can be customized on every patient’s specific anatomy and provides a double blood source for the brain, but it cannot be used in urgent-emergency conditions. Therefore, in order to optimize outcomes, the choice of the most appropriate device should be made considering pros and cons of each system and patient’s anatomy by an experienced aortic team. In conclusion, total endovascular aortic arch exclusion is a promising reality in selected high-risk patients.
Ankle Dorsiflexor Function after Gastrocsoleus Lengthening in Children with Cerebral Palsy: A Literature Review
Authors: Sclavos Nicholas , Ma Norine , Passmore Elyse , Thomason Pam , Graham H. Kerr , Rutz Erich
Published: March 2022

Background and Objectives: Ambulant children with cerebral palsy can demonstrate persistent “foot drop” after successful gastrocsoleus lengthening (GSL) surgery for equinus deformity. This may be due to inadequate strength and/or selective motor control of the ankle dorsiflexor muscles. A procedure has been developed to reduce foot drop—Tibialis Anterior Tendon Shortening (TATS), to be performed in conjunction with GSL. However, it is currently unclear how ankle dorsiflexor function changes after surgery and which children could benefit from TATS. This review summarises changes in ankle dorsiflexor function after GSL for equinus, as reported in the literature. Methods: A search was performed of the Medline, Embase and PubMed databases from 1980 to 5 March 2021. Keywords included “cerebral palsy”, “equinus deformity”, “orthopedic procedures” and “gait analysis”. The search identified 1974 studies. Thirty-three cohort studies met the inclusion criteria for this review. Results: Twenty-two studies reported improvement in swing phase ankle dorsiflexion kinematics, after GSL. There was also evidence that clinical measures of ankle dorsiflexor strength improved after surgery. Four studies reported changes in selective motor control, with mixed results across the studies. Conclusions: There is good evidence that swing phase ankle dorsiflexion improves after GSL surgery. Although, there is limited evidence that this correlates with reduced foot drop or diminished need for an ankle-foot orthosis. Future research should be prospective, randomised, include a large sample size, and should focus on identifying the optimal candidates for TATS.
Predictive MRI Biomarkers in MS—A Critical Review
Authors: Tiu Vlad Eugen , Enache Iulian , Panea Cristina Aura , Tiu Cristina , Popescu Bogdan Ovidiu
Published: March 2022

Background and Objectives: In this critical review, we explore the potential use of MRI measurements as prognostic biomarkers in multiple sclerosis (MS) patients, for both conventional measurements and more novel techniques such as magnetization transfer, diffusion tensor, and proton spectroscopy MRI. Materials and Methods: All authors individually and comprehensively reviewed each of the aspects listed below in PubMed, Medline, and Google Scholar. Results: There are numerous MRI metrics that have been proven by clinical studies to hold important prognostic value for MS patients, most of which can be readily obtained from standard 1.5T MRI scans. Conclusions: While some of these parameters have passed the test of time and seem to be associated with a reliable predictive power, some are still better interpreted with caution. We hope this will serve as a reminder of how vast a resource we have on our hands in this versatile tool—it is up to us to make use of it.
A Simulation Model for the Non-Electrogenic Uniport Carrier-Assisted Transport of Ions across Lipid Membranes
Authors: Scorciapino Mariano Andrea , Picci Giacomo , Quesada Roberto , Lippolis Vito , Caltagirone Claudia
Published: March 2022

Impressive work has been completed in recent decades on the transmembrane anion transport capability of small synthetic transporters from many different structural classes. However, very few predicting models have been proposed for the fast screening of compound libraries before spending time and resources on the laboratory bench for their synthesis. In this work, a new approach is presented which aims at describing the transport process by taking all the steps into explicit consideration, and includes all possible experiment-derived parameters. The algorithm is able to simulate the macroscopic experiments performed with lipid vesicles to assess the ion-transport ability of the synthetic transporters following a non-electrogenic uniport mechanism. While keeping calculation time affordable, the final goal is the curve-fitting of real experimental data—so, to obtain both an analysis and a predictive tool. The role and the relative weight of the different parameters is discussed and the agreement with the literature is shown by using the simulations of a virtual benchmark case. The fitting of real experimental curves is also shown for two transporters of different structural type.
Crystal Orientation Dependence of the Portevin–Le Chatelier Effect in Instrumented Indentation: A Case Study in Twinning-Induced Plasticity Steels
Authors: Peng Xiuxing , Wang Lingyu , Xu Wei , Liang Zhiyuan
Published: March 2022

Instrumented indentation can be effectively used to investigate the Portevin–Le Chatelier (PLC) effect at small scales. It has been shown that the PLC effect in single crystals may depend on the crystal orientation, yet the underlying mechanism is unclear. Here, the orientation dependence of the PLC effect was systematically studied by conducting instrumented indentation tests in the [001]-, [101]- and [111]-oriented grains of a polycrystalline twinning-induced plasticity steel. It is found that the crystal orientation does not affect the PLC effect at relatively high indentation strain rates. In contrast, there is a strong orientation dependence at lower rates, with enhanced difficulty in the formation of serrations in the order of the [001], [111] and [101] orientations. This finding contradicts the previous proposals of the orientation effects, which are associated with the dislocation waiting time. On the basis of both the orientation and rate effects observed here, we proposed that the crystal orientation influences the occurrence of serrations in instrumented indentation by affecting the number of activated slip systems and, therefore, the probability of finding sufficient dislocation sources to accommodate the plastic avalanche.
Intermolecular Mechanism and Dynamic Investigation of Avian Influenza H7N9 Virus’ Susceptibility to E119V-Substituted Peramivir–Neuraminidase Complex
Authors: Mtambo Sphamandla E. , Ugbaja Samuel C. , Mushebenge Aganze G. , Abubakar Bahijjahtu H. , Ntuli Mthobisi L. , Kumalo Hezekiel M.
Published: March 2022

The H7N9 virus attaches itself to the human cell receptor protein containing the polysaccharide that terminates with sialic acid. The mutation of neuraminidase at residue E119 has been explored experimentally. However, there is no adequate information on the substitution with E119V in peramivir at the intermolecular level. Therefore, a good knowledge of the interatomic interactions is a prerequisite in understanding its transmission mode and subsequent effective inhibitions of the sialic acid receptor cleavage by neuraminidase. Herein, we investigated the mechanism and dynamism on the susceptibility of the E119V mutation on the peramivir–neuraminidase complex relative to the wildtype complex at the intermolecular level. This study aims to investigate the impact of the 119V substitution on the neuraminidase–peramivir complex and unveil the residues responsible for the complex conformations. We employed molecular dynamic (MD) simulations and extensive post-MD analyses in the study. These extensive computational investigations were carried out on the wildtype and the E119V mutant complex of the protein for holistic insights in unveiling the effects of this mutation on the binding affinity and the conformational terrain of peramivir–neuraminidase E119V mutation. The calculated total binding energy (ΔGbind) for the peramivir wildtype is −49.09 ± 0.13 kcal/mol, while the E119V mutant is −58.55 ± 0.15 kcal/mol. The increase in binding energy (9.46 kcal/mol) is consistent with other post-MD analyses results, confirming that E119V substitution confers a higher degree of stability on the protein complex. This study promises to proffer contributory insight and additional knowledge that would enhance future drug designs and help in the fight targeted at controlling the avian influenza H7N9 virus. Therefore, we suggest that experimentalists collaborate with computational chemists for all investigations of this topic, as we have done in our previous studies.
Understanding the Biosynthesis of Paxisterol in Lichen-Derived Penicillium aurantiacobrunneum for Production of Fluorinated Derivatives
Authors: Yamano Yoshi , Rakotondraibe Harinantenaina L.
Published: March 2022

The U.S. endemic lichen (Niebla homalea)-derived Penicillium aurantiacobrunneum produced a cytotoxic paxisterol derivative named auransterol (2) and epi-citreoviridin (6). Feeding assay using 13C1-labelled sodium acetate not only produced C-13-labelled paxisterol but also confirmed the biosynthetic origin of the compound. The fluorination of bioactive compounds is known to improve pharmacological and pharmacokinetic effects. Our attempt to incorporate the fluorine atom in paxisterol and its derivatives using the fluorinated precursor sodium monofluoroacetate resulted in the isolation of 7-monofluoroacetyl paxisterol (7). The performed culture experiment, as well as the isolation and structure elucidation of the new fluorinated paxisterol, is discussed herein.
New Halogen-Containing Drugs Approved by FDA in 2021: An Overview on Their Syntheses and Pharmaceutical Use
Authors: Benedetto Tiz Davide , Bagnoli Luana , Rosati Ornelio , Marini Francesca , Sancineto Luca , Santi Claudio
Published: March 2022

This review describes the recent Food and Drug Administration (FDA)-approved drugs (in the year 2021) containing at least one halogen atom (covalently bound). The structures proposed throughout this work are grouped according to their therapeutical use. Their synthesis is presented as well. The number of halogenated molecules that are reaching the market is regularly preserved, and 14 of the 50 molecules approved by the FDA in the last year contain halogens. This underlines the emergent role of halogens and, in particular, of fluorine and chlorine in the preparation of drugs for the treatment of several diseases such as viral infections, several types of cancer, cardiovascular disease, multiple sclerosis, migraine and inflammatory diseases such as vasculitis.
Rational Design and Synthesis of HSF1-PROTACs for Anticancer Drug Development
Authors: Sharma Chiranjeev , Choi Myeong A , Song Yoojin , Seo Young Ho
Published: March 2022

PROTACs employ the proteosome-mediated proteolysis via E3 ligase and recruit the natural protein degradation machinery to selectively degrade the cancerous proteins. Herein, we have designed and synthesized heterobifunctional small molecules that consist of different linkers tethering KRIBB11, a HSF1 inhibitor, with pomalidomide, a commonly used E3 ligase ligand for anticancer drug development.
Synthesis of Novel Tritopic Hydrazone Ligands: Spectroscopy, Biological Activity, DFT, and Molecular Docking Studies
Authors: Rupa Sharmin Akther , Moni Md. Rassel , Patwary Md. Abdul Majed , Mahmud Md. Mayez , Haque Md. Aminul , Uddin Jamal , Abedin S. M. Tareque
Published: March 2022

Polytopic organic ligands with hydrazone moiety are at the forefront of new drug research among many others due to their unique and versatile functionality and ease of strategic ligand design. Quantum chemical calculations of these polyfunctional ligands can be carried out in silico to determine the thermodynamic parameters. In this study two new tritopic dihydrazide ligands, N’2, N’6-bis[(1E)-1-(thiophen-2-yl) ethylidene] pyridine-2,6-dicarbohydrazide (L1) and N’2, N’6-bis[(1E)-1-(1H-pyrrol-2-yl) ethylidene] pyridine-2,6-dicarbohydrazide (L2) were successfully prepared by the condensation reaction of pyridine-2,6-dicarboxylic hydrazide with 2-acetylthiophene and 2-acetylpyrrole. The FT-IR, 1H, and 13C NMR, as well as mass spectra of both L1 and L2, were recorded and analyzed. Quantum chemical calculations were performed at the DFT/B3LYP/cc-pvdz/6-311G+(d,p) level of theory to study the molecular geometry, vibrational frequencies, and thermodynamic properties including changes of ∆H, ∆S, and ∆G for both the ligands. The optimized vibrational frequency and (1H and 13C) NMR obtained by B3LYP/cc-pvdz/6-311G+(d,p) showed good agreement with experimental FT-IR and NMR data. Frontier molecular orbital (FMO) calculations were also conducted to find the HOMO, LUMO, and HOMO–LUMO gaps of the two synthesized compounds. To investigate the biological activities of the ligands, L1 and L2 were tested using in vitro bioassays against some Gram-negative and Gram-positive bacteria and fungus strains. In addition, molecular docking was used to study the molecular behavior of L1 and L2 against tyrosinase from Bacillus megaterium. The outcomes revealed that both L1 and L2 can suppress microbial growth of bacteria and fungi with variable potency. The antibacterial activity results demonstrated the compound L2 to be potentially effective against Bacillus megaterium with inhibition zones of 12 mm while the molecular docking study showed the binding energies for L1 and L2 to be −7.7 and −8.8 kcal mol−1, respectively, with tyrosinase from Bacillus megaterium.
Secondary Metabolites with Anti-Inflammatory from the Roots of Cimicifuga taiwanensis
Authors: Chen Jih-Jung , Cheng Ming-Jen , Lee Tzong-Huei , Kuo Yueh-Hsiung , Lu Chao-Tsen
Published: March 2022

The genus Cimicifuga is one of the smallest genera in the family Ranunculaceae. Cimicifugae Rhizoma originated from rhizomes of Cimicifuga simplex, and C. dahurica, C. racemosa, C. foetida, and C. heracleifolia have been used as anti-inflammatory, analgesic and antipyretic remedies in Chinese traditional medicine. Inflammation is related to many diseases. Cimicifuga taiwanensis was often used in folk therapy in Taiwan for inflammation. Phytochemical investigation and chromatographic separation of extracts from the roots of Cimicifuga taiwanensis has led to the isolation of six new compounds: cimicitaiwanins A–F (1–6, respectively). The structures of the new compounds were unambiguously elucidated on the basis of extensive spectroscopic data analysis (1D- and 2D-NMR, MS, and UV) and comparison with the literature data. The effect of some isolates on the inhibition of NO production in lipopolysaccharide-activated RAW 264.7 murine macrophages was evaluated. Of the isolates, 3–6 exhibited potent anti-NO production activity, with IC50 values ranging from 6.54 to 24.58 μM, respectively, compared with that of quercetin, an iNOS inhibitor with an IC50 value of 34.58 μM. This is the first report on metabolite from the endemic Taiwanese plant-C. taiwanensis.
Challenges of Measuring Soluble Mn(III) Species in Natural Samples
Authors: Kim Bohee , Lingappa Usha Farey , Magyar John , Monteverde Danielle , Valentine Joan Selverstone , Cho Jaeheung , Fischer Woodward
Published: March 2022

Soluble Mn(III)–L complexes appear to constitute a substantial portion of manganese (Mn) in many environments and serve as critical high-potential species for biogeochemical processes. However, the inherent reactivity and lability of these complexes—the same chemical characteristics that make them uniquely important in biogeochemistry—also make them incredibly difficult to measure. Here we present experimental results demonstrating the limits of common analytical methods used to quantify these complexes. The leucoberbelin-blue method is extremely useful for detecting many high-valent Mn species, but it is incompatible with the subset of Mn(III) complexes that rapidly decompose under low-pH conditions—a methodological requirement for the assay. The Cd-porphyrin method works well for measuring Mn(II) species, but it does not work for measuring Mn(III) species, because additional chemistry occurs that is inconsistent with the proposed reaction mechanism. In both cases, the behavior of Mn(III) species in these methods ultimately stems from inter- and intramolecular redox chemistry that curtails the use of these approaches as a reflection of ligand-binding strength. With growing appreciation for the importance of high-valent Mn species and their cycling in the environment, these results underscore the need for additional method development to enable quantifying such species rapidly and accurately in nature.
Insertion of the Liquid Crystal 5CB into Monovacancy Graphene
Authors: Brown Paul A. , Kołacz Jakub , Fischer Sean A. , Spillmann Christopher M. , Gunlycke Daniel
Published: March 2022

Interfacial interactions between liquid crystal (LC) and two-dimensional (2D) materials provide a platform to facilitate novel optical and electronic material properties. These interactions are uniquely sensitive to the local energy landscape of the atomically thick 2D surface, which can be strongly influenced by defects that are introduced, either by design or as a byproduct of fabrication processes. Herein, we present density functional theory (DFT) calculations of the LC mesogen 4-cyan-4′-pentylbiphenyl (5CB) on graphene in the presence of a monovacancy (MV-G). We find that the monovacancy strengthens the binding of 5CB in the planar alignment and that the structure is lower in energy than the corresponding homeotropic structure. However, if the molecule is able to approach the monovacancy homeotropically, 5CB undergoes a chemical reaction, releasing 4.5 eV in the process. This reaction follows a step-by-step process gradually adding bonds, inserting the 5CB cyano group into MV-G. We conclude that this irreversible insertion reaction is likely spontaneous, potentially providing a new avenue for controlling both LC behavior and graphene properties.
Detection of Volatiles by HS-SPME-GC/MS and Biological Effect Evaluation of Buddha’s Hand Fruit
Authors: Vitalini Sara , Iriti Marcello , Ovidi Elisa , Laghezza Masci Valentina , Tiezzi Antonio , Garzoli Stefania
Published: March 2022

The present work aimed to chemically characterize and evaluate the antiradical power and biological effects of Citrus medica var. sarcodactylus essential oil (EO) and hydrolate (Hy) from exocarp as well as methanol extracts, from both exocarp and mesocarp (EEX and MEX). The whole fresh fruit was also investigated by SPME-GC/MS to describe its volatile composition. EO and Hy were analyzed by GC/MS and HS-GC/MS techniques, respectively. Limonene and γ-terpinene were found to be the most abundant compounds both in the fresh parts of the fruit and in the EO, while α-terpineol and terpinen-4-ol were in the Hy. The extracts were also rich in furan and coumarin derivatives. A good antiradical activity of all samples except Hy was detected both against ABTS·+ than DPPH·, removed up to about 50%. The antibacterial activity against Bacillus cereus and Escherichia coli was evaluated by microwell dilution method to determine MIC and MBC values. EEX and MEX showed efficacy at very high concentrations against both tested bacteria. The MIC value of EO against B. cereus was 0.5% v/v, while Hy was not able to inhibit the bacterial growth at the tested concentrations. Cytotoxicity investigated on the HL60 leukemia cell line by MTT assay provided an EC50 of 1.24% v/v for EO. Interesting activity of Hy was also observed.
Thinking Inside the Box: A Novel Approach to Smoke Taint Mitigation Trials
Authors: Szeto Colleen , Ristic Renata , Wilkinson Kerry
Published: March 2022

When bushfires occur near wine regions, grapevine exposure to smoke can taint grapes due to the uptake of smoke-derived volatile compounds that can subsequently impart unpleasant smoky, medicinal, burnt rubber and ashy characters to wine. Whereas early research sought to understand the effects of smoke on grapevine physiology, and grape and wine chemistry, research efforts have shifted towards the strategic imperative for effective mitigation strategies. This study evaluated the extent to which excised grape bunches could be reproducibly tainted during smoke exposure in a purpose-built ‘smoke box’. The volatile phenol composition of grapes exposed to smoke for 30 min was similar to that of smoke-affected grapes from field trials involving grapevine exposure to smoke. Some variation was observed between replicate smoke treatments, but implementing appropriate controls and experimental replication enabled the smoke box to be used to successfully evaluate the efficacy of several agrochemical sprays and protective coverings as methods for mitigating the smoke exposure of grapes. Whereas the agrochemical sprays did not provide effective protection from smoke, enclosing grape bunches in activated carbon fabric prevented the uptake of up to 98% of the smoke-derived volatile phenols observed in smoke-affected grapes. As such, the study demonstrated not only a convenient, efficient approach to smoke taint research that overcomes the constraints associated with vineyard-based field trials, but also a promising new strategy for preventing smoke taint.
Efficient Heparin Recovery from Porcine Intestinal Mucosa Using Zeolite Imidazolate Framework-8
Authors: Karimi Abdolmaleki Mahmood , Ganta Deepak , Shafiee Ali , Velazquez Carlo Alberto , Khambhati Devang P.
Published: March 2022

Heparin is one of the most valuable active pharmaceutical ingredients, and it is generally isolated from porcine intestinal mucosa. Traditionally, different types of commercial resins are employed as an adsorbent for heparin uptake; however, using new, less expensive adsorbents has attracted more interest in the past few years to enhance the heparin recovery. Zeolite imidazolate framework-8 (ZIF-8), as a metal–organic framework (MOF) with a high surface area, porosity, and good stability at high temperatures, was selected to examine the heparin recovery. In this research, we demonstrate that ZIF-8 can recover up to ~70% (37 mg g−1) of heparin from porcine intestinal mucosa. A mechanistic study through kinetic and thermodynamic models on the adsorption revealed appropriate surface conditions for the adsorption of heparin molecules. The effect of different variables such as pH and temperature on heparin adsorption was also studied to optimize the recovery. This study is the first to investigate the usage of MOFs for heparin uptake.
Evaluation of Plant-Based Byproducts as Green Fining Agents for Precision Winemaking
Authors: Versari Andrea , Ricci Arianna , Brioni Annacarla , Galaz Torres Cristian , Pavez Moreno Carolina Alejandra , Concha García Javiera , Parpinello Giuseppina Paola
Published: March 2022

Consumers are increasingly looking for foods, including wine, that are free of animal-derived proteins. This study seeks to evaluate patatin, a new, plant-based and allergen-free fining agent, by comparing it with the fining agents polyvinipolypyrrolidone, bovine serum albumin, and methylcellulose. Specifically, its effects on the phenolic profile of enological tannins were analyzed with four spectrophotometric assays: OD 280 nm, Folin–Ciocâlteu, Adams–Harbertson, and methylcellulose. In addition, changes in the polyphenol composition of Sangiovese red wine were determined by UV-Vis spectrophotometry and HPLC with adsorption trials, and the solid–liquid interaction in a wine solution was modeled by both Langmuir and Freundlich equations. Our findings highlight the occurrence of systematic proportional error between the selected spectrophotometric assays. As a result, direct comparisons of protein precipitation assays can be made only among results obtained with the same spectrophotometric method. However, it is clear that patatin has an impact on the phenolic profile of Sangiovese red wine: it removes simple phenolics (gallic acid, (+)-catechin, (–)-epicatechin, epicatechin gallate, syringic acid, fertaric acid, coutaric acid, and rutin) as well as both oligomeric and polymeric tannins to different extents. In concentrations of less than 1 g/L, the patatin isotherm showed a linear relation between the equilibrium concentration and the quantity absorbed, obeying the Freundlich model reasonably well (KF 1.46; 1/n 1.07; R2 0.996 with 1/n > 1). Thus, the adsorption process is strongly dependent on the fining dosage.
Retinoblastoma Cell Growth In Vitro and Tumor Formation In Ovo—Influence of Different Culture Conditions
Authors: Doege Annika , Steens Rebecca , Dünker Nicole , Busch Maike Anna
Published: March 2022

Retinoblastoma (RB) is a primary intraocular malignancy in childhood. Relapses may develop and cause secondary cancers during later development. This study was set up to identify optimal cell culture conditions for RB cell growth in vitro and to optimize tumor growth in an in vivo model. RB cell lines (Y79 and WERI-Rb1) were cultivated under three different in vitro conditions and apoptosis, proliferation and cell growth, as well as expression profiles of two epithelial-mesenchymal transition (EMT) markers, were analyzed. EMT gene expression profiles were not generally changed, whereas apoptosis levels, tumor cell proliferation, and in vitro growth were significantly influenced by different cell culture conditions. In order to optimize the time-limited chick chorioallantoic membrane (CAM) assay, we investigated two different time points of tumor cell inoculation (embryonic development day EDD8 and EDD10) as well as three different cell concentrations. We showed that inoculation at EDD8 led to decreased tumor formation and chicken viability, whereas different cell concentrations did not change size and weight of developing tumors. Our findings demonstrate that medium conditions in vitro as well as the starting point for CAM inoculation in ovo significantly influence the experimental outcome of investigations using RB cell lines.
Light-Triggered Polymersome-Based Anticancer Therapeutics Delivery
Authors: Hernández Becerra Elisa , Quinchia Jennifer , Castro Cristina , Orozco Jahir
Published: March 2022

Polymersomes are biomimetic cell membrane-like model structures that are self-assembled stepwise from amphiphilic copolymers. These polymeric (nano)carriers have gained the scientific community’s attention due to their biocompatibility, versatility, and higher stability than liposomes. Their tunable properties, such as composition, size, shape, and surface functional groups, extend encapsulation possibilities to either hydrophilic or hydrophobic cargoes (or both) and their site-specific delivery. Besides, polymersomes can disassemble in response to different stimuli, including light, for controlling the “on-demand” release of cargo that may also respond to light as photosensitizers and plasmonic nanostructures. Thus, polymersomes can be spatiotemporally stimulated by light of a wide wavelength range, whose exogenous response may activate light-stimulable moieties, enhance the drug efficacy, decrease side effects, and, thus, be broadly employed in photoinduced therapy. This review describes current light-responsive polymersomes evaluated for anticancer therapy. It includes light-activable moieties’ features and polymersomes’ composition and release behavior, focusing on recent advances and applications in cancer therapy, current trends, and photosensitive polymersomes’ perspectives.
Potential of TiN/GaN Heterostructures for Hot Carrier Generation and Collection
Authors: Simpkins Blake S. , Maximenko Sergey I. , Baturina Olga
Published: March 2022

Herein, we find that TiN sputter-deposited on GaN displayed the desired optical properties for plasmonic applications. While this is a positive result indicating the possible use of p- or n-type GaN as a collector of plasmonically generated hot carriers, the interfacial properties differed considerably depending on doping conditions. On p-type GaN, a distinct Schottky barrier was formed with a barrier height of ~0.56 eV, which will enable effective separation of photogenerated electrons and holes, a typical approach used to extend their lifetimes. On the other hand, no transport barrier was found for TiN on n-type GaN. While the lack of spontaneous carrier separation in this system will likely reduce unprompted hot carrier collection efficiencies, it enables a bias-dependent response whereby charges of the desired type (e.g., electrons) could be directed into the semiconductor or sequestered in the plasmonic material. The specific application of interest would determine which of these conditions is most desirable.
High Performance and Self-Humidifying of Novel Cross-Linked and Nanocomposite Proton Exchange Membranes Based on Sulfonated Polysulfone
Authors: Li Xinyu , Zhang Zhongxin , Xie Zheng , Guo Xinrui , Yang Tianjian , Li Zhongli , Tu Mei , Rao Huaxin
Published: March 2022

The introduction of inorganic additive or nanoparticles into fluorine-free proton exchange membranes (PEMs) can improve proton conductivity and have considerable effects on the performance of polymer electrolyte membrane fuel cells. Based on the sol–gel method and in situ polycondensation, novel cross-linked PEM and nanocomposite PEMs based on a sulfonated polysulfone (SPSU) matrix were prepared by introducing graphene oxide (GO) polymeric brushes and incorporating Pt-TiO2 nanoparticles into an SPSU matrix, respectively. The results showed that the incorporation of Pt-TiO2 nanoparticles could obviously enhance self-humidifying and thermal stability. In addition, GO polymer brushes fixed on polymeric PEM by forming a cross-linked network structure could not only solve the leakage of inorganic additives during use and compatibility problem with organic polymers, but also significantly improve proton conductivity and reduce methanol permeability of the nanocomposite PEM. Proton conductivity, water uptake and methanol permeability of the nanocomposite PEM can be up to 6.93 mS cm−1, 46.58% and be as low as 1.4157 × 10−6 cm2 s−1, respectively, which represent increases of about 70%, about 22% and a decrease of about 40%, respectively, compared with that of primary SPSU. Therefore, the synergic action of the covalent cross-linking, GO polymer brush and nanoparticles can significantly and simultaneously improve the overall performance of the composite PEM.
A Simple Polypyrrole/Polyvinylidene Fluoride Membrane with Hydrophobic and Self-Floating Ability for Solar Water Evaporation
Authors: Zhang Shenfeng , Chen Jun , Zheng Jixin , Chen Xin , Xu Hongbo , Petrescu Florian Ion Tiberiu , Ungureanu Liviu Marian , Li Ying , Shi Gang
Published: March 2022

The traditional hydrophobic solarevaporator is generally obtained through the modification of alkyl or fluoroalkyl on the photothermal membrane. However, the modified groups can easily be oxidized in the long-term use process, resulting in the poor salt resistance and stability of photothermal membrane. In order to solve this problem, a simple polypyrrole/polyvinylidene fluoride membrane, consisting of an intrinsic hydrophobic support (polyvinylidene fluoride) and a photothermal material (polypyrrole), was fabricated by ultrasonically mixing and immersed precipitation. This photothermal membrane showed good self-floating ability in the process of water evaporation. In order to further improve the photothermal conversion efficiency, a micropyramid structure with antireflective ability was formed on the surface of membrane by template method. The micropyramids can enhance the absorption efficiency of incident light. The water evaporation rate reached 1.42 kg m−2 h−1 under 1 sun irradiation, and the photothermal conversion efficiency was 88.7%. The hydrophobic polyvinylidene fluoride ensures that NaCl cannot enter into membrane during the evaporation process of the brine, thus realizing the stability and salt resistance of polypyrrole/polyvinylidene fluoride in 3.5%wt and 10%wt NaCl solution.
Perceptions of COVID-19 Mitigation Strategies between Rural and Non-Rural Adults in the US: How Public Health Nurses Can Fill the Gap
Authors: Beck Alan M. , Piontek Amy J. , Wiedenman Eric M. , Gilbert Amanda
Published: March 2022

The purpose of this study was to capture the perceptions of COVID-19 mitigations’ efficacy of rural and non-rural participants, using the health belief model (HBM), as well as to describe where public health nursing may be able to fill behavior gaps in rural communities. Rural and non-rural participants completed electronic surveys. Surveys collected demographic information and perceptions of various mitigation strategies’ effectiveness. Rurality was significantly associated with perceptions of the effectiveness of public health mitigation strategies including wearing facemasks, limiting time indoors, avoiding gatherings, non-essential business closure, and staying home. Our findings suggest people in rural areas perceive mitigations to be effective. Other researchers have consistently shown rural residents are least likely to partake in the same mitigations. Rural public health nurses on the front line serve as the key to closing the aforementioned gap. Understanding where their community’s perceptions lie is pivotal in creating educational programs to continue mitigation efforts as we embark on the second year of this pandemic.
Injectable Biodegradable Silica Depot: Two Months of Sustained Release of the Blood Glucose Lowering Peptide, Pramlintide
Authors: Tyagi Puneet , Koskinen Mika , Mikkola Jari , Sarkhel Sanjay , Leino Lasse , Seth Asha , Madalli Shimona , Will Sarah , Howard Victor G. , Brant Helen , Corkill Dominic
Published: March 2022

Diabetes mellitus is a major healthcare challenge. Pramlintide, a peptide analogue of the hormone amylin, is currently used as an adjunct with insulin for patients who fail to achieve glycemic control with only insulin therapy. However, hypoglycemia is the dominant risk factor associated with such approaches and careful dosing of both drugs is needed. To mitigate this risk factor and compliance issues related to multiple dosing of different drugs, sustained delivery of Pramlintide from silica depot administered subcutaneously (SC) was investigated in a rat model. The pramlintide-silica microparticle hydrogel depot was formulated by spray drying of silica sol-gels. In vitro dissolution tests revealed an initial burst of pramlintide followed by controlled release due to the dissolution of the silica matrix. At higher dosing, pramlintide released from subcutaneously administered silica depot in rats showed a steady concentration of 500 pM in serum for 60 days. Released pramlintide retained its pharmacological activity in vivo, as evidenced by loss of weight. The biodegradable silica matrix offers a sustained release of pramlintide for at least two months in the rat model and shows potential for clinical applications.
Classification and Characterization of Tire-Road Wear Particles in Road Dust by Density
Authors: Jung Uiyeong , Choi Sung-Seen
Published: March 2022

Tire treads are abraded by friction with the road surface, producing tire tread wear particles (TWPs). TWPs combined with other particles on the road such as road wear particles (RWPs) and mineral particles (MPs), forming tire-road wear particles (TRWPs). Dust on an asphalt pavement road is composed of various components such as TRWPs, asphalt pavement wear particles (APWPs), MPs, plant-related particles (PRPs), and so on. TRWPs have been considered as one of major contaminants produced by driving and their properties are important for study on real abrasion behaviors of tire treads during driving as well as environmental contamination. Densities of the TRWPs are totally dependent on the amount of the other components deposited in the TWPs. In this study, a classification method of TRWPs in the road dust was developed using density separation and the classified TRWPs were characterized using image analysis and pyrolytic technique. Chloroform was used to remove APWPs from mixture of TRWPs and APWPs. TRWPs were found in the density range of 1.20–1.70 g/cm3. By decreasing the particle size of the road dust, the TRWP content in the road dust increased and its density slightly tended to increase. Aspect ratios of the TRWPs varied and there were many TRWPs with low aspect ratio below 2.0. The aspect ratio range was 1.2–5.2. Rubber compositions of the TRWPs were found to be mainly NR/SBR biblend or NR/BR/SBR triblend.
The Role of Typha angustifilia Fiber–Matrix Bonding Parameters on Interfacial Shear Strength Analysis
Authors: Huzni Syifaul , Ikramullah Ikramullah , Ibrahim Israr B. M. , Fonna Syarizal , Sukhairi Teuku Arriessa , Afrizal Andri , Muksin Umar , H. P. S. Abdul Khalil , Aprilia Sri , Rizal Samsul
Published: March 2022

The microbond test of natural fibers tends to produce scattered interfacial shear stress (IFSS) values. The sources of this scattering are known, but the roles they play in producing high IFSS scattering remain to be investigated. In this study, a numerical method was used to simulate microbond testing and to examine the experimental parameters in a microbond test of Typha angustifolia fiber/epoxy. Three parameters were considered: fiber diameter, fiber length embedded in the epoxy, and the distance between the vise and the specimen. The geometries were modeled and analyzed by ABAQUS software using its cohesive zone model features. There were two types of contact used in this analysis: tie constraint and surface-to-surface. The results showcased the roles of the following experimental parameters: a larger fiber diameter from a sample increased the IFSS value, a longer embedded length reduced the IFSS value, and a shorter vise–specimen distance increased the IFSS value. The IFSS scattering in the microbond test could have originated from the interaction between these parameters. Of the three parameters, only the vise–specimen distance was found to be able to be reasonably controlled. When the IFSS value was atypically large, fiber diameter and/or embedded length potentially drove the scattering. This study advises further compilation and classification of the role of each experimental parameter in modulating the IFSS value.