bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of the Antibacterial and Prebiotic Potential of Ascophyllum nodosum and Its Extracts Using Selected Bacterial Members of the Pig Gastrointestinal Microbiota
Authors: Venardou Brigkita , O’Doherty John V. , Garcia-Vaquero Marco , Kiely Claire , Rajauria Gaurav , McDonnell Mary J. , Ryan Marion T. , Sweeney Torres
Published: December 2021

Ascophyllum nodosum and its extracts are promising antibacterial and prebiotic dietary supplements for pigs. The objectives of this study were to evaluate the effects of the increasing concentrations of: (1) two whole biomass samples of A. nodosum with different harvest seasons, February (ANWB-F) and November (ANWB-N), in a weaned pig faecal batch fermentation assay, and (2) A. nodosum extracts produced using four different extraction conditions of a hydrothermal-assisted extraction methodology (ANE1–4) and conventional extraction methods with water (ANWE) and ethanol (ANEE) as solvent in individual pure culture growth assays using a panel of beneficial and pathogenic bacterial strains. In the batch fermentation assay, ANWB-F reduced Bifidobacterium spp. counts (p < 0.05) while ANWB-N increased total bacterial counts and reduced Bifidobacterium spp. and Enterobacteriaceae counts (p < 0.05). Of the ANE1–4, produced from ANWB-F, ANWE and ANEE that were evaluated in the pure culture growth assays, the most interesting extracts were the ANE1 that reduced Salmonella Typhimurium, enterotoxigenic Escherichia coli and B. thermophilum counts and the ANE4 that stimulated B. thermophilum growth (p < 0.05). In conclusion, the extraction method and conditions influenced the bioactivities of the A. nodosum extracts with ANE1 and ANE4 exhibiting distinct antibacterial and prebiotic properties in vitro, respectively, that merit further exploration.
Not Drug-like, but Like Drugs: Cnidaria Natural Products
Authors: Laguionie-Marchais Claire , Allcock A. Louise , Baker Bill J. , Conneely Ellie-Ann , Dietrick Sarah G. , Kearns Fiona , McKeever Kate , Young Ryan M. , Sierra Connor A. , Soldatou Sylvia , Woodcock H. Lee , Johnson Mark P.
Published: December 2021

Phylum Cnidaria has been an excellent source of natural products, with thousands of metabolites identified. Many of these have not been screened in bioassays. The aim of this study was to explore the potential of 5600 Cnidaria natural products (after excluding those known to derive from microbial symbionts), using a systematic approach based on chemical space, drug-likeness, predicted toxicity, and virtual screens. Previous drug-likeness measures: the rule-of-five, quantitative estimate of drug-likeness (QED), and relative drug likelihoods (RDL) are based on a relatively small number of molecular properties. We augmented this approach using reference drug and toxin data sets defined for 51 predicted molecular properties. Cnidaria natural products overlap with drugs and toxins in this chemical space, although a multivariate test suggests that there are some differences between the groups. In terms of the established drug-likeness measures, Cnidaria natural products have generally lower QED and RDL scores than drugs, with a higher prevalence of metabolites that exceed at least one rule-of-five threshold. An index of drug-likeness that includes predicted toxicity (ADMET-score), however, found that Cnidaria natural products were more favourable than drugs. A measure of the distance of individual Cnidaria natural products to the centre of the drug distribution in multivariate chemical space was related to RDL, ADMET-score, and the number of rule-of-five exceptions. This multivariate similarity measure was negatively correlated with the QED score for the same metabolite, suggesting that the different approaches capture different aspects of the drug-likeness of individual metabolites. The contrasting of different drug similarity measures can help summarise the range of drug potential in the Cnidaria natural product data set. The most favourable metabolites were around 210–265 Da, quite often sesquiterpenes, with a moderate degree of complexity. Virtual screening against cancer-relevant targets found wide evidence of affinities, with Glide scores <−7 in 19% of the Cnidaria natural products.
Multiple Free Flap Reconstruction of a Complex Intraoral Defect after Squamous Cell Carcinoma Excision: A Case Report
Authors: Santilli Manlio , D’Addazio Gianmaria , Rexhepi Imena , Sinjari Bruna , Filippini Arnaldo
Published: December 2021

Background: Squamous cell carcinoma is the most frequent malignant cancer of the oral cavity. Metastasis involvement is one of the most relevant prognostic factors in terms of survival probability. Patients with oral cancers often undergo extensive en bloc resective surgery of the mandible and maxilla, with or without cervical nodal dissection, based on the presence or occult risk of regional metastases. Several factors affect the choice of flap, to recover aesthetics and function. Case Presentation: The case of a 60-year-old man who underwent maxillectomy with neck dissection as well as a reconstruction with a combination of multiple vascularized free flaps is presented. Conclusions: The excellent integration of the free flaps and the total absence of complications led to a high-quality aesthetic and functional performance of the reconstruction obtained through two different flaps. More specifically, the fibular free flap for bone reconstruction allows a two-team approach and maintains an excellent vascularization, even in case of several osteotomies for the maxillary reconstruction as reported. In addition, the use of free radial forearm flap for soft tissue reconstruction permits to obtain long caliber vessels, thus facilitating surgery without repositioning of the patient during surgery and therefore, consequently reducing surgery times.
No Association between Single Nucleotide Polymorphisms (SNPs) of the Interferon-Induced Transmembrane Protein 3 (IFITM3) Gene and the Susceptibility of Alzheimer’s Disease (AD)
Authors: Won Sae-Young , Kim Yong-Chan , Jeong Byung-Hoon
Published: December 2021

Background and Objectives: Alzheimer’s disease (AD) is the most common progressive neurodegenerative disorder, characterized by the accumulation of amyloid-beta (Aβ) in the brain. A recent study reported that the interferon-induced transmembrane protein 3 (IFITM3) protein plays a pivotal role in Aβ processing by the γ-secretase complex. Since several single nucleotide polymorphisms (SNPs) of the IFITM3 gene are related to the function and expression levels of the IFITM3 gene, the relationship between genetic polymorphisms in the IFITM3 gene and susceptibility to AD needs to be investigated. Materials and Methods: We investigated the genotype and allele frequencies of IFITM3 polymorphisms in 177 AD patients and 233 matched healthy controls by amplicon sequencing. In addition, we compared the genotype, allele and haplotype frequencies between AD patients and matched controls and performed an association analysis. Results: There were no significant differences in the genotype, allele or haplotype frequency distributions of the IFITM3 polymorphisms between AD patients and matched controls. Conclusions: To the best of our knowledge, this is the first case-control association study of the IFITM3 gene in AD.
The Effect of Structured Exercise Compared with Education on Neuropathic Signs and Symptoms in People at Risk of Neuropathic Diabetic Foot Ulcers: A Randomized Clinical Trial
Authors: Perrin Byron M. , Southon Jessica , McCaig Jane , Skinner Isabelle , Skinner Timothy C. , Kingsley Michael I. C.
Published: December 2021

Background and Objectives: Lifestyle interventions such as exercise prescription and education may play a role in the management of peripheral neuropathy in people with diabetes. The aim of this study was to determine the effect of undertaking an exercise program in comparison with an education program on the signs and symptoms of peripheral neuropathy in people with diabetes at risk of neuropathic foot ulceration. Materials and Methods: Twenty-four adult participants with diabetes and peripheral neuropathy were enrolled in this parallel-group, assessor blinded, randomised clinical trial. Participants were randomly allocated to one of two 8-week lifestyle interventions, exercise or education. The primary outcome measures were the two-part Michigan Neuropathy Screening Instrument (MNSI) and vibratory perception threshold (VPT). Secondary outcome measures included aerobic fitness, balance and lower limb muscular endurance. Results: Participants in both lifestyle interventions significantly improved over time for MNSI clinical signs (MD: −1.04, 95% CI: −1.68 to −0.40), MNSI symptoms (MD: −1.11, 95% CI: −1.89 to −0.33) and VPT (MD: −4.22, 95% CI: −8.04 to −0.40). Although the interaction effects did not reach significance, changes in values from pre to post intervention favoured exercise in comparison to control for MNSI clinical signs (MD −0.42, 95% CI −1.72 to 0.90), MNSI clinical symptoms (MD −0.38, 95% CI −1.96 to 1.2) and VPT (MD −4.22, 95% CI −12.09 to 3.65). Conclusions: Eight weeks of exercise training or lifestyle education can improve neuropathic signs and symptoms in people with diabetes and peripheral neuropathy. These findings support a role for lifestyle interventions in the management of peripheral neuropathy.
YKL-40 as a Potential Biomarker for the Differential Diagnosis of Alzheimer’s Disease
Authors: Mavroudis Ioannis , Chowdhury Rumana , Petridis Foivos , Karantali Eleni , Chatzikonstantinou Symela , Balmus Ioana Miruna , Luca Iuliana Simona , Ciobica Alin , Kazis Dimitrios
Published: December 2021

Alzheimer’s disease (AD) is a progressive neurodegenerative disorder, associated with extensive neuronal loss, dendritic and synaptic changes resulting in significant cognitive impairment. An increased number of studies have given rise to the neuroinflammatory hypothesis in AD. It is widely accepted that AD brains show chronic inflammation, probably triggered by the presence of insoluble amyloid beta deposits and neurofibrillary tangles (NFT) and is also related to the activation of neuronal death cascade. In the present study we aimed to investigate the role of YKL-40 levels in the cerebrospinal fluid (CSF) in the diagnosis of AD, and to discuss whether there are further potential roles of this protein in the management and treatment of AD. We conducted an online search on PubMed, Web of Science, and the Cochrane library databases from 1990 to 2021. The quantitative analysis showed that the levels of YKL-40 were significantly higher in Alzheimer’s disease compared to controls, to mild cognitive impairment (MCI) AD (MCI-AD) and to stable MCI. They were also increased in MCI-AD compared to stable MCI. The present study shows that the CSF levels of YKL-40 could be potentially used as a biomarker for the prognosis of mild cognitive impairment and the likelihood of progression to AD, as well as for the differential diagnosis between AD and MCI.
Osmium Recovery as Membrane Nanomaterials through 10–Undecenoic Acid Reduction Method
Authors: Albu Paul Constantin , Ferencz (Dinu) Andreea , Al-Ani Hussam Nadum Abdalraheem , Tanczos Szidonia-Katalin , Oprea Ovidiu , Grosu Vlad-Alexandru , Nechifor Gheorghe , Bungău Simona Gabriela , Grosu Alexandra Raluca , Goran Alexandru , Nechifor Aurelia Cristina
Published: December 2021

The recovery of osmium from residual osmium tetroxide (OsO4) is a necessity imposed by its high toxicity, but also by the technical-economic value of metallic osmium. An elegant and extremely useful method is the recovery of osmium as a membrane catalytic material, in the form of nanoparticles obtained on a polymeric support. The subject of the present study is the realization of a composite membrane in which the polymeric matrix is the polypropylene hollow fiber, and the active component consists of the osmium nanoparticles obtained by reducing an alcoholic solution of osmium tetroxides directly on the polymeric support. The method of reducing osmium tetroxide on the polymeric support is based on the use of 10-undecenoic acid (10–undecylenic acid) (UDA) as a reducing agent. The osmium tetroxide was solubilized in t–butanol and the reducing agent, 10–undecenoic acid (UDA), in i–propanol, t–butanol or n–decanol solution. The membranes containing osmium nanoparticles (Os–NP) were characterized morphologically by the following: scanning electron microscopy (SEM), high-resolution SEM (HR–SEM), structurally: energy-dispersive spectroscopy analysis (EDAX), Fourier transform infrared (FTIR) spectroscopy. In terms of process performance, thermal gravimetric analysis was performed by differential scanning calorimetry (TGA, DSC) and in a redox reaction of an organic marker, p–nitrophenol (PNP) to p–aminophenol (PAP). The catalytic reduction reaction with sodium tetraborate solution of PNP to PAP yielded a constant catalytic rate between 2.04 × 10−4 mmol s−1 and 8.05 × 10−4 mmol s−1.
Powder Particle Size Effects on Microstructure and Mechanical Properties of Mechanically Alloyed ODS Ferritic Steels
Authors: Oñoro Moisés , Macías-Delgado Julio , Auger María A. , Hoffmann Jan , de Castro Vanessa , Leguey Teresa
Published: December 2021

Reduced activation ferritic (RAF) steels are expected to be widely used in challenging nuclear industrial applications under severe thermo-mechanical regimes and intense neutron loads. Therefore, actual research panorama is facing the strengthening strategies necessary to maximize both performance and endurance under these conditions. Oxide dispersion strengthened (ODS) RAF steels are leader candidates as structural materials in fusion energy reactors thanks to the reinforcement obtained with a fine dispersion of nanosized oxides in their matrix. In this study, the influence of the initial powder particle size and the selected processing route on the final material has been investigated. Two RAF ODS steels coming from atomized pre-alloyed powders with nominal particle powder sizes of 70 and 30 µm and composition Fe-14Cr-2W-0.4Ti-0.3Y2O3 (wt. %) were manufactured by mechanical alloying. Alloyed powders were compacted by hot isostatic pressing, hot crossed rolled, and annealed at 1273 K. Initial powder particle size differences minimize after milling. Both steels present an almost completely recrystallized material and similar grain sizes. The same type and distributions of secondary phases, Cr-W-rich, Ti-rich, and Y-Ti oxide nanoparticles, have been also characterized by transmission electron microscopy (TEM) in both alloy samples. The strengthening effect has been confirmed by tensile and Charpy impact tests. The two alloys present similar strength values with slightly better ductile brittle transition temperature (DBTT) and ductility for the steel produced with the smaller powder size.
Ultrawideband Antennas: Growth and Evolution
Authors: Kumar Om Prakash , Kumar Pramod , Ali Tanweer , Kumar Pradeep , Vincent Shweta
Published: December 2021

Narrowband antennas fail to radiate short pulses of nano- or picosecond length over the broader band of frequencies. Therefore, Ultrawideband (UWB) technology has gained momentum over the past couple of years as it utilizes a wide range of frequencies, typically between 3.1–10.6 GHz. UWB antennas have been utilized for various applications such as ground-penetrating radars, disaster management through detection of unexploded mines, medical diagnostics, and commercial applications ranging from USB dongles to detection of cracks in highways and bridges. In the first section of the manuscript, UWB technology is detailed with its importance for future wireless communications systems. In the next section various types of UWB antennas and their design methodology are reviewed, and their important characteristics are highlighted. In section four the concept of a UWB notch antenna is presented. Here various methods to obtain the notch, such as slots, parasitic resonators, metamaterials, and filters are discussed in detail. In addition, various types of important notch antenna design with their technical specifications, advantages, and disadvantages are presented. Finally, the need of reconfigurable UWB notch antennas is discussed in the next section. Here various insight to the design of frequency reconfigurable notch antennas is discussed and presented. Overall, this article aims to showcase the beginnings of UWB technology, the reason for the emergence of notching in specific frequency bands, and ultimately the need for reconfiguring UWB antennas along with their usage.
A Sub-1 Hz Resonance Frequency Resonator Enabled by Multi-Step Tuning for Micro-Seismometer
Authors: Wu Jun , Maekoba Hideyuki , Parent Arnaud , Ikehashi Tamio
Published: December 2021

We propose a sub-1 Hz resonance frequency MEMS resonator that can be used for seismometers. The low resonance frequency is achieved by an electrically tunable spring with an ultra-small spring constant. Generally, it is difficult to electrically fine-tune the resonance frequency at a near-zero spring constant because the frequency shift per voltage will diverge at the limit of zero spring constant. To circumvent this issue, we propose a multi-step electrical tuning method. We show by simulations that the resonance frequency can be tuned by 0.008 Hz/mV even in the sub-1 Hz region. The small spring constant, however, reduces the shock robustness and dynamic range of the seismometer. To prevent this, we employ a force-balanced method in which the mass displacement is nulled by the feedback force. We show that the displacement can be obtained from the voltage that generates the feedback force.
Outer Acoustic Streaming Flow Driven by Asymmetric Acoustic Resonances
Authors: Lei Junjun , Zheng Gaokun , Yao Zhen , Huang Zhigang
Published: December 2021

While boundary-driven acoustic streaming resulting from the interaction of sound, fluids and walls in symmetric acoustic resonances have been intensively studied in the literature, the acoustic streaming fields driven by asymmetric acoustic resonances remain largely unexplored. Here, we present a theoretical and numerical analysis of outer acoustic streaming flows generated over a fluid–solid interface above which a symmetric or asymmetric acoustic standing wave is established. The asymmetric standing wave is defined by a shift of acoustic pressure in its magnitude, i.e., S0, and the resulting outer acoustic streaming is analyzed using the limiting velocity method. We show that, in symmetric acoustic resonances (S0=0), on a slip-velocity boundary, the limiting velocities always drive fluids from the acoustic pressure node towards adjacent antinodes. In confined geometry where a slip-velocity condition is applied to two parallel walls, the characteristics of the obtained outer acoustic streaming replicates that of Rayleigh streaming. In an asymmetric standing wave where S0≠0, however, it is found that the resulting limiting velocity node (i.e., the dividing point of limiting velocities) on the slip-velocity boundary locates at a different position to acoustic pressure node and, more importantly, is shown to be independent of S0, enabling spatial separation of acoustic radiation force and acoustic streaming flows. The results show the richness of boundary-driven acoustic streaming pattern variations that arise in standing wave fields and have potentials in many microfluidics applications such as acoustic streaming flow control and particle manipulation.
The Streaming Potential of Fluid through a Microchannel with Modulated Charged Surfaces
Authors: Bian Xinyue , Li Fengqin , Jian Yongjun
Published: December 2021

In this paper, the effects of asymmetrically modulated charged surfaces on streaming potential, velocity field and flow rate are investigated under the axial pressure gradient and vertical magnetic field. In a parallel-plate microchannel, modulated charged potentials on the walls are depicted by the cosine function. The flow of incompressible Newtonian fluid is two-dimensional due to the modulated charged surfaces. Considering the Debye–Hückel approximation, the Poisson–Boltzmann (PB) equation and the modified Navier-Stokes (N-S) equation are established. The analytical solutions of the potential and velocities (u and v) are obtained by means of the superposition principle and stream function. The unknown streaming potential is determined by the condition that the net ionic current is zero. Finally, the influences of pertinent dimensionless parameters (modulated potential parameters, Hartmann number and slip length) on the flow field, streaming potential, velocity field and flow rate are discussed graphically. During the flow process and under the impact of the charge-modulated potentials, the velocity profiles present an oscillating characteristic, and vortexes are generated. The results show that the charge-modulated potentials are beneficial for the enhancement of the streaming potential, velocity and flow rate, which also facilitate the mixing of fluids. Meanwhile, the flow rate can be controlled through the use of a low-amplitude magnetic field.
Rock-Forming (Biotite and Plagioclase) and Accessory (Zircon) Minerals Geochemistry as an Indicator of the Metal Fertility of Magmas by the Example of Au-Cu-Fe-Skarn Deposits in Eastern Transbaikalia
Authors: Redin Yury O. , Redina Anna A. , Mokrushnikov Viktor P. , Malyutina Alexandra V. , Dultsev Vladislav F.
Published: December 2021

Many gold and gold-bearing complex deposits related to the Late Jurassic and Early Cretaceous magmatism are known in Eastern Transbaikalia. The largest deposits are the Lugokan, the Kultuma and the Bystrinsky. These deposits are in a paragenetic relationship with the Late Jurassic magmatic rocks of the Shakhtama complex. According to the available data, the total resources of gold in these three deposits are estimated to be approximately 443 tons: the Lugokan, Au~53 tons, Cu~302 thousand tons; the Kultuma, Au~121 tons, Cu~587 thousand tons, Fe~33 mln t; the Bystrinsky, Au~269 tons, Cu~2070 thousand tons, Fe~67 mln t. One of the main aims of this work was to reveal the criteria of fertility for the classical porphyry type, based on the specific geochemical features of rock-forming and accessory minerals. A comparison of the obtained results with other data on the large porphyry and skarn deposits of the world showed that the magmatic rocks of the Bystrinsky massif, specifically porphyry species dated 159.6–158.6 Ma, are potentially ore-bearing for the porphyry type mineralization. The magmatic rocks that widely occur at the Lugokan and Kultuma deposits are most close to the Fe-skarn deposits. The best indicators of the magma fertility for the porphyry rocks are Ce/Ce*, Eu/Eu*, Yb/Dy, (Ce/Nd)/Y in zircons. Thus, magmatic rocks characterized by Ce/Ce* > 100, Eu/Eu* > 0.4, Yb/Dy > 5.0 and (Ce/Nd)/Y > 0.01 may be classified as high fertile for the classical porphyry mineralization in Eastern Transbaikalia. The plagioclase and biotite chemistry data also showed that the magmatic rocks that occurred at the Bystrinsky deposit are the most fertile for the porphyry type mineralization. The magmatic rocks classified as ore-bearing porphyry type have Al* > 1 in plagioclase, high values of IV(F) and IV(F/Cl) and low ratios of X(F)/X(OH) in biotites. The assessment of the metal fertility of magmatic rocks is most effective in combination with data on both the composition of rock-forming and accessory minerals. The obtained data may be used to develop the methods of prediction and search for gold, copper and iron mineralization.
Thermal Stability of Calcium Oxalates from CO2 Sequestration for Storage Purposes: An In-Situ HT-XRPD and TGA Combined Study
Authors: Curetti Nadia , Pastero Linda , Bernasconi Davide , Cotellucci Andrea , Corazzari Ingrid , Archetti Maurizio , Pavese Alessandro
Published: December 2021

Calcium oxalates are naturally occurring biominerals and can be found as a byproduct of some industrial processes. Recently, a new and green method for carbon capture and sequestration in stable calcium oxalate from oxalic acid produced by carbon dioxide reduction was proposed. The reaction resulted in high-quality weddellite crystals. Assessing the stability of these weddellite crystals is crucial to forecast their reuse as solid-state reservoir of pure CO2 and CaO in a circular economy perspective or, eventually, their disposal. The thermal decomposition of weddellite obtained from the new method of carbon capture and storage was studied by coupling in-situ high-temperature X-ray powder diffraction and thermogravimetric analysis, in order to evaluate the dehydration, decarbonation, and the possible production of unwanted volatile species during heating. At low temperature (119–255 °C), structural water release was superimposed to an early CO2 feeble evolution, resulting in a water-carbon dioxide mixture that should be separated for reuse. Furthermore, the storage temperature limit must be considered bearing in mind this CO2 release low-temperature event. In the range 390–550 °C, a two-component mixture of carbon monoxide and dioxide is evolved, requiring oxidation of the former or gas separation to reuse pure gases. Finally, the last decarbonation reaction produced pure CO2 starting from 550 °C.
A New Method for Olive Oil Screening Using Multivariate Analysis of Proton NMR Spectra
Authors: Ray Colleen L. , Gawenis James A. , Greenlief C. Michael
Published: December 2021

A new NMR-based method for the discrimination of olive oils of any grade from seed oils and mixtures thereof was developed with the aim of allowing the verification of olive oil authenticity. Ten seed oils and seven monovarietal and blended extra virgin olive oils were utilized to develop a principal component analysis (PCA) based analysis of 1H NMR spectra to rapidly and accurately determine the authenticity of olive oils. Another twenty-eight olive oils were utilized to test the principal component analysis (PCA) based analysis. Detection of seed oil adulteration levels as low as 5% v/v has been shown using simple one-dimensional proton spectra obtained using a 400 MHz NMR spectrometer equipped with a room temperature inverse probe. The combination of simple sample preparation, rapid sample analysis, novel processing parameters, and easily interpreted results, makes this method an easily accessible tool for olive oil fraud detection by substitution or dilution compared to other methods already published.
Photolysis of the Insensitive Explosive 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB)
Authors: Halasz Annamaria , Hawari Jalal , Perreault Nancy N.
Published: December 2021

The explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is of particular interest due to its extreme insensitivity to impact, shock and heat, while providing a good detonation velocity. To determine its fate under environmental conditions, TATB powder was irradiated with simulated sunlight and, in water, under UV light at 254 nm. The hydrolysis of particles submerged in neutral and alkaline solutions was also examined. We found that, by changing experimental conditions (e.g., light source, and mass and physical state of TATB), the intermediates and final products were slightly different. Mono-benzofurazan was the major transformation product in both irradiation systems. Two minor transformation products, the aci-nitro form of TATB and 3,5-diamino-2,4,6-trinitrophenol, were detected under solar light, while 1,3,5-triamino-2-nitroso-4,6-dinitrobenzene, 1,3,5-triamino-2,4-dinitrobenzene and mono-benzofuroxan were produced under UV light. The product identified as 3,5-diamino-2,4,6-trinitrophenol was identical to the one formed in the dark under alkaline conditions (pH 13) and in water incubated at either 50 °C or aged at ambient conditions. Interestingly, when only a few milligrams of TATB were irradiated with simulated sunlight, the aci-isomer and mono-benzofurazan derivative were detected; however, the hydrolysis product 3,5-diamino-2,4,6-trinitrophenol formed only much later in the absence of light. This suggests that the water released from TATB to form mono-benzofurazan was trapped in the interstitial space between the TATB layers and slowly hydrolyzed the relatively stable aci-nitro intermediate to 3,5-diamino-2,4,6-trinitrophenol. This environmentally relevant discovery provides data on the fate of TATB in surface environments exposed to sunlight, which can transform the insoluble substrate into more soluble and corrosive derivatives, such as 3,5-diamino-2,4,6-trinitrophenol, and that some hydrolytic transformation can continue even without light.
Identification and Quantification, Metabolism and Pharmacokinetics, Pharmacological Activities, and Botanical Preparations of Protopine: A Review
Authors: Huang Wangli , Kong Lingbo , Cao Yang , Yan Liang
Published: December 2021

Through pharmacological activity research, an increasing number of natural products and their derivatives are being recognized for their therapeutic value. In recent years, studies have been conducted on Corydalis yanhusuo W.T. Wang, a valuable medicinal herb listed in the Chinese Pharmacopoeia. Protopine, one of its components, has also become a research hotspot. To illustrate the identification, metabolism, and broad pharmacological activity of protopine and the botanical preparations containing it for further scientific studies and clinical applications, an in-depth and detailed review of protopine is required. We collected data on the identification and quantification, metabolism and pharmacokinetics, pharmacological activities, and botanical preparations of protopine from 1986 to 2021 from the PubMed database using “protopine” as a keyword. It has been shown that protopine as an active ingredient of many botanical preparations can be rapidly screened and quantified by a large number of methods (such as the LC-ESI-MS/MS and the TLC/GC-MS), and the possible metabolic pathways of protopine in vivo have been proposed. In addition, protopine possesses a wide range of pharmacological activities such as anti-inflammatory, anti-platelet aggregation, anti-cancer, analgesic, vasodilatory, anticholinesterase, anti-addictive, anticonvulsant, antipathogenic, antioxidant, hepatoprotective, neuroprotective, and cytotoxic and anti-proliferative activities. In this paper, the identification and quantification, metabolism and pharmacokinetics, pharmacological activities, and botanical preparations of protopine are reviewed in detail to lay a foundation for further scientific research and clinical applications of protopine.
Panos-Fermented Extract-Mediated Nanoemulsion: Preparation, Characterization, and In Vitro Anti-Inflammatory Effects on RAW 264.7 Cells
Authors: Zhang Rui , Rupa Esrat Jahan , Zheng Siwen , Nahar Jinnatun , Yang Deok Chun , Kang Se Chan , Wang Yingping
Published: December 2021

This study focused on developing Panos nanoemulsion (P-NE) and enhancing the anti-inflammatory efficacy for the treatment of inflammation. The effects of P-NE were evaluated in terms of Nitric oxide (NO production) in Lipopolysaccharide (LPS), induced RAW 264.7 cells, Reactive oxygen species (ROS) generation using Human Keratinocyte cells (HaCaT), and quantitative polymerase chain reaction (qPCR) analysis. Sea buckthorn oil, Tween 80, and span 80 were used and optimize the process. Panos extract (P-Ext) was prepared using the fermentation process. Further high-energy ultra-sonication was used for the preparation of P-NE. The developed nanoemulsion (NE) was characterized using different analytical methods. Field emission transmission electron microscopy (FE-TEM) analyzed the spherical shape and morphology. In addition, stability was analyzed by Dynamic light scattering (DLS) analysis, where particle size was analyzed 83 nm, and Zeta potential −28.20 ± 2 (mV). Furthermore, 90 days of stability was tested using different temperatures conditions where excellent stability was observed. P-NE are non-toxic in (HaCaT), and RAW264.7 cells up to 100 µg/mL further showed effects on ROS and NO production of the cells at 50 µg/mL. The qPCR analysis demonstrated the suppression of pro-inflammatory mediators for (Cox 2, IL-6, IL-1β, and TNF-α, NF-κB, Ikkα, and iNOS) gene expression. The prepared NE exhibited anti-inflammatory effects, demonstrating its potential as a safe and non-toxic nanomedicine.
Design and Synthesis of Novel Podophyllotoxins Hybrids and the Effects of Different Functional Groups on Cytotoxicity
Authors: Yang Zhongtao , Zhou Zitong , Luo Xiai , Luo Xiaoling , Luo Hui , Luo Lianxiang , Yang Weiguang
Published: December 2021

Development of novel anticancer therapeutic candidates is one of the key challenges in medicinal chemistry. Podophyllotoxin and its derivatives, as a potent cytotoxic agent, have been at the center of extensive chemical amendment and pharmacological investigation. Herein, a new series of podophyllotoxin-N-sulfonyl amidine hybrids (4a–4v, 5a–5f) were synthesized by a CuAAC/ring-opening procedure. All the synthesized podophyllotoxins derivatives were evaluated for in vitro cytotoxic activity against a panel of human lung (A-549) cancer cell lines. Different substituents’, or functional groups’ antiproliferative activities were discussed. The –CF3 group performed best (IC50: 1.65 μM) and exhibited more potent activity than etoposide. Furthermore, molecular docking and dynamics studies were also conducted for active compounds and the results were in good agreement with the observed IC50 values.
Computational Study of SARS-CoV-2 RNA Dependent RNA Polymerase Allosteric Site Inhibition
Authors: Faisal Shah , Badshah Syed Lal , Kubra Bibi , Sharaf Mohamed , Emwas Abdul-Hamid , Jaremko Mariusz , Abdalla Mohnad
Published: December 2021

The COVID-19 pandemic has caused millions of fatalities since 2019. Despite the availability of vaccines for this disease, new strains are causing rapid ailment and are a continuous threat to vaccine efficacy. Here, molecular docking and simulations identify strong inhibitors of the allosteric site of the SARS-CoV-2 virus RNA dependent RNA polymerase (RdRp). More than one hundred different flavonoids were docked with the SARS-CoV-2 RdRp allosteric site through computational screening. The three top hits were Naringoside, Myricetin and Aureusidin 4,6-diglucoside. Simulation analyses confirmed that they are in constant contact during the simulation time course and have strong association with the enzyme’s allosteric site. Absorption, distribution, metabolism, excretion and toxicity (ADMET) data provided medicinal information of these top three hits. They had good human intestinal absorption (HIA) concentrations and were non-toxic. Due to high mutation rates in the active sites of the viral enzyme, these new allosteric site inhibitors offer opportunities to drug SARS-CoV-2 RdRp. These results provide new information for the design of novel allosteric inhibitors against SARS-CoV-2 RdRp.
Biosynthesis of Silver Chloride Nanoparticles by Rhizospheric Bacteria and Their Antibacterial Activity against Phytopathogenic Bacterium Ralstonia solanacearum
Authors: Abd Alamer Iman Sabah , Tomah Ali Athafah , Ahmed Temoor , Li Bin , Zhang Jingze
Published: December 2021

Ralstonia solanacearum is the most destructive pathogen, causing bacterial wilt disease of eggplant. The present study aimed to develop green synthesis and characterization of silver chloride nanoparticles (AgCl-NPs) by using a native bacterial strain and subsequent evaluation of their antibacterial activity against R. solanacearum. Here, a total of 10 bacterial strains were selected for the biosynthesis of AgCl-NPs. Among them, the highest yield occurred in the synthesis of AgCl-NPs using a cell-free aqueous filtrate of strain IMA13. Ultrastructural observation revealed that the AgCl-NPs were spherical and oval with smooth surfaces and 5–35 nm sizes. XRD analysis studies revealed that these particles contained face-centered cubic crystallites of metallic Ag and AgCl. Moreover, FTIR analysis showed the presence of capping proteins, carbohydrates, lipids, and lipopeptide compounds and crystalline structure of AgCl-NPs. On the basis of phylogenetic analysis using a combination of six gene sequences (16S, gyrA, rpoB, purH, polC, and groEL), we identified strain IMA13 as Bacillus mojavensis. Three kinds of lipopeptide compounds, namely, bacillomycin D, iturin, and fengycin, forming cell-free supernatant produced by strain IAM13, were identified by MALDI-TOF mass spectrometry. Biogenic AgCl-NPs showed substantial antibacterial activity against R. solanacearum at a concentration of 20 µg/mL−1. Motility assays showed that the AgCl-NPs significantly inhibited the swarming and swimming motility (61.4 and 55.8%) against R. solanacearum. Moreover, SEM and TEM analysis showed that direct interaction of AgCl-NPs with bacterial cells caused rupture of cell wall and cytoplasmic membranes, as well as leakage of nucleic acid materials, which ultimately resulted in the death of R. solanacearum. Overall, these findings will help in developing a promising nanopesticide against phytopathogen plant disease management.
Module-Designed Carbon-Coated Separators for High-Loading, High-Sulfur-Utilization Cathodes in Lithium–Sulfur Batteries
Authors: Huang Yi-Chen , Yen Yin-Ju , Tseng Yu-Hsun , Chung Sheng-Heng
Published: December 2021

Lithium–sulfur batteries have great potential as next-generation energy-storage devices because of their high theoretical charge-storage capacity and the low cost of the sulfur cathode. To accelerate the development of lithium–sulfur technology, it is necessary to address the intrinsic material and extrinsic technological challenges brought about by the insulating active solid-state materials and the soluble active liquid-state materials. Herein, we report a systematic investigation of module-designed carbon-coated separators, where the carbon coating layer on the polypropylene membrane decreases the irreversible loss of dissolved polysulfides and increases the reaction kinetics of the high-loading sulfur cathode. Eight different conductive carbon coatings were considered to investigate how the materials’ characteristics contribute to the lithium–sulfur cell’s cathode performance. The cell with a nonporous-carbon-coated separator delivered an optimized peak capacity of 1112 mA∙h g−1 at a cycling rate of C/10 and retained a high reversible capacity of 710 mA∙h g−1 after 200 cycles under lean-electrolyte conditions. Moreover, we demonstrate the practical high specific capacity of the cathode and its commercial potential, achieving high sulfur loading and content of 4.0 mg cm−2 and 70 wt%, respectively, and attaining high areal and gravimetric capacities of 4.45 mA∙h cm−2 and 778 mA∙h g−1, respectively.
Role of Phenolic Compounds in Human Disease: Current Knowledge and Future Prospects
Authors: Rahman Md. Mominur , Rahaman Md. Saidur , Islam Md. Rezaul , Rahman Firoza , Mithi Faria Mannan , Alqahtani Taha , Almikhlafi Mohannad A. , Alghamdi Samia Qasem , Alruwaili Abdullah S , Hossain Md. Sohel , Ahmed Muniruddin , Das Rajib , Emran Talha Bin , Uddin Md. Sahab
Published: December 2021

Inflammation is a natural protective mechanism that occurs when the body’s tissue homeostatic mechanisms are disrupted by biotic, physical, or chemical agents. The immune response generates pro-inflammatory mediators, but excessive output, such as chronic inflammation, contributes to many persistent diseases. Some phenolic compounds work in tandem with nonsteroidal anti-inflammatory drugs (NSAIDs) to inhibit pro-inflammatory mediators’ activity or gene expression, including cyclooxygenase (COX). Various phenolic compounds can also act on transcription factors, such as nuclear factor-κB (NF-κB) or nuclear factor-erythroid factor 2-related factor 2 (Nrf-2), to up-or downregulate elements within the antioxidant response pathways. Phenolic compounds can inhibit enzymes associated with the development of human diseases and have been used to treat various common human ailments, including hypertension, metabolic problems, incendiary infections, and neurodegenerative diseases. The inhibition of the angiotensin-converting enzyme (ACE) by phenolic compounds has been used to treat hypertension. The inhibition of carbohydrate hydrolyzing enzyme represents a type 2 diabetes mellitus therapy, and cholinesterase inhibition has been applied to treat Alzheimer’s disease (AD). Phenolic compounds have also demonstrated anti-inflammatory properties to treat skin diseases, rheumatoid arthritis, and inflammatory bowel disease. Plant extracts and phenolic compounds exert protective effects against oxidative stress and inflammation caused by airborne particulate matter, in addition to a range of anti-inflammatory, anticancer, anti-aging, antibacterial, and antiviral activities. Dietary polyphenols have been used to prevent and treat allergy-related diseases. The chemical and biological contributions of phenolic compounds to cardiovascular disease have also been described. This review summarizes the recent progress delineating the multifunctional roles of phenolic compounds, including their anti-inflammatory properties and the molecular pathways through which they exert anti-inflammatory effects on metabolic disorders. This study also discusses current issues and potential prospects for the therapeutic application of phenolic compounds to various human diseases.
Near-Infrared Spectroscopy (NIRS) as a Method for Biological Sex Discrimination in the Endangered Houston Toad (Anaxyrus houstonensis)
Authors: Chen Li-Dunn , Santos-Rivera Mariana , Burger Isabella J. , Kouba Andrew J. , Barber Diane M. , Vance Carrie K.
Published: December 2021

Biological sex is one of the more critically important physiological parameters needed for managing threatened animal species because it is crucial for informing several of the management decisions surrounding conservation breeding programs. Near-infrared spectroscopy (NIRS) is a non-invasive technology that has been recently applied in the field of wildlife science to evaluate various aspects of animal physiology and may have potential as an in vivo technique for determining biological sex in live amphibian species. This study investigated whether NIRS could be used as a rapid and non-invasive method for discriminating biological sex in the endangered Houston toad (Anaxyrus houstonensis). NIR spectra (N = 396) were collected from live A. houstonensis individuals (N = 132), and distinct spectral patterns between males and females were identified using chemometrics. Linear discriminant analysis (PCA-LDA) classified the spectra from each biological sex with accuracy ≥ 98% in the calibration and internal validation datasets and 94% in the external validation process. Through the use of NIRS, we have determined that unique spectral signatures can be holistically captured in the skin of male and female anurans, bringing to light the possibility of further application of this technique for juveniles and sexually monomorphic species, whose sex designation is important for breeding-related decisions.
Efficient and Stable Perovskite Solar Cells Based on Inorganic Hole Transport Materials
Authors: Park Helen Hejin
Published: December 2021

Although power conversion efficiencies of organic-inorganic lead halide perovskite solar cells (PSCs) are approaching those of single-crystal silicon solar cells, the working device stability due to internal and external factors, such as light, temperature, and moisture, is still a key issue to address. The current world-record efficiency of PSCs is based on organic hole transport materials, which are usually susceptible to degradation from heat and diffusion of dopants. A simple solution would be to replace the generally used organic hole transport layers (HTLs) with a more stable inorganic material. This review article summarizes recent contributions of inorganic hole transport materials to PSC development, focusing on aspects of device performance and long-term stability. Future research directions of inorganic HTLs in the progress of PSC research and challenges still remaining will also be discussed.
Droplet-Based Microfluidic Preparation of Shape-Variable Alginate Hydrogel Magnetic Micromotors
Authors: Zhang Cheng , Wang Yong , Chen Yuduo , Ma Xing , Chen Wenjun
Published: December 2021

This article introduces a facile droplet-based microfluidic method for the preparation of Fe3O4-incorporated alginate hydrogel magnetic micromotors with variable shapes. By using droplet-based microfluidics and water diffusion, monodisperse (quasi-)spherical microparticles of sodium alginate and Fe3O4 (Na-Alg/Fe3O4) are obtained. The diameter varies from 31.9 to 102.7 µm with the initial concentration of Na-Alginate in dispersed fluid ranging from 0.09 to 9 mg/mL. Calcium chloride (CaCl2) is used for gelation, immediately transforming Na-Alg/Fe3O4 microparticles into Ca-Alginate hydrogel microparticles incorporating Fe3O4 nanoparticles, i.e., Ca-Alg/Fe3O4 micromotors. Spherical, droplet-like, and worm-like shapes are yielded depending on the concentration of CaCl2, which is explained by crosslinking and anisotropic swelling during the gelation. The locomotion of Ca-Alg/Fe3O4 micromotors is activated by applying external magnetic fields. Under the rotating magnetic field (5 mT, 1–15 Hz), spherical Ca-Alg/Fe3O4 micromotors exhibit an average advancing velocity up to 158.2 ± 8.6 µm/s, whereas worm-like Ca-Alg/Fe3O4 micromotors could be rotated for potential advancing. Under the magnetic field gradient (3 T/m), droplet-like Ca-Alg/Fe3O4 micromotors are pulled forward with the average velocity of 70.7 ± 2.8 µm/s. This article provides an inspiring and timesaving approach for the preparation of shape-variable hydrogel micromotors without using complex patterns or sophisticated facilities, which holds potential for biomedical applications such as targeted drug delivery.
High Temperature Continuous Flow Syntheses of Iron Oxide Nanoflowers Using the Polyol Route in a Multi-Parametric Millifluidic Device
Authors: Bertuit Enzo , Neveu Sophie , Abou-Hassan Ali
Published: December 2021

One of the most versatile routes for the elaboration of nanomaterials in materials science, including the synthesis of magnetic iron oxide nanoclusters, is the high-temperature polyol process. However, despite its versatility, this process still lacks reproducibility and scale-up, in addition to the low yield obtained in final materials. In this work, we demonstrate a home-made multiparametric continuous flow millifluidic system that can operate at high temperatures (up to 400 °C). After optimization, we validate its potential for the production of nanomaterials using the polyol route at 220 °C by elaborating ferrite iron oxide nanoclusters called nanoflowers (CoFe2O4, Fe3O4, MnFe2O4) with well-controlled nanostructure and composition, which are highly demanded due to their physical properties. Moreover, we demonstrate that by using such a continuous process, the chemical yield and reproducibility of the nanoflower synthesis are strongly improved as well as the possibility to produce these nanomaterials on a large scale with quantities up to 45 g per day.