bluuebunny/crossref_metadata_2025 huggingface dataset:
Fabrication of Energetic Composites with 91% Solid Content by 3D Direct Writing
Authors: Deng Yucheng , Wu Xinzhou , Deng Peng , Guan Fayang , Ren Hui
Published: September 2021

Direct writing is a rapidly developing manufacturing technology that is convenient, adaptable and automated. It has been used in energetic composites to manufacture complex structures, improve product safety, and reduce waste. This work is aimed at probing the formability properties and combustion performances of aluminum/ammonium perchlorate with a high solid content for direct writing fabrication. Four kinds of samples with different solid content were successfully printed by adjusting printing parameters and inks formulas with excellent rheological behavior and combustion properties. A high solid content of 91% was manufactured and facile processed into complex structures. Micromorphology, rheology, density, burning rate, heat of combustion and combustion performance were evaluated to characterized four kinds of samples. As the solid content increases, the density, burning rate and heat of combustion are greatly enhanced. Based on 3D direct writing technology, complex energetic 3D structures with 91% solid content are shaped easier and more flexibly than in traditional manufacturing process, which provides a novel way for the manufacture of complicated structures of energetic components.
Micro 3D Printing by Two-Photon Polymerization: Configurations and Parameters for the Nanoscribe System
Authors: Bunea Ada-Ioana , del Castillo Iniesta Nuria , Droumpali Ariadni , Wetzel Alexandre Emmanuel , Engay Einstom , Taboryski Rafael
Published: September 2021

3D printing by two-photon polymerization enables the fabrication of microstructures with complex shapes and critical dimensions of a few hundreds of nanometers. On state-of-the art commercial two-photon polymerization systems, an immense 3D design freedom can be put into practice by direct laser writing using a precise fabrication technology, which makes this approach highly attractive for different applications on the microscale, such as microrobotics, micro-optics, or biosensing. However, navigating the different possible configurations and selecting the optimal parameters for the fabrication process often requires intensive testing and optimization. In addition to the more established acrylate-based resins, there is a growing interest in the use of soft materials. In this paper, we demonstrate the fabrication of various microscale structures by two-photon polymerization using a Nanoscribe Photonic Professional GT+ commercial system. Furthermore, we describe the different configurations of the system and parameter selection, as well as commercial resins and their chemical and mechanical properties. Finally, we provide a short guide aiming to serve as starting point for the two-photon polymerization-based fabrication of various microscale architectures with distinct characteristics.
Investigations on Vector-Borne and Aerosol Transmission Potential of Kaeng Khoi Virus in Cave-Dwelling Wrinkle-Lipped Free-Tailed Bats (Chaerephon plicatus) in Thailand
Authors: Neill William A. , Kading Rebekah C.
Published: September 2021

Kaeng Khoi virus (KKV; Order: Bunyavirales, Family: Peribunyaviridae, Genus: Orthobunyavirus), is an endemic viral infection of the wrinkle-lipped free-tailed bat (Chaerephon plicatus; also known as Tadarida plicata plicata). Viral isolates from bat bugs (Family: Cimicidae) suggest vector-borne transmission, but in general little is known about the ecology of KKV and seroprevalence in the local human and animal populations. Transmission studies and a serosurvey were carried out in Kaeng Khoi cave, Saraburi province, Thailand, during 1973–1974. Experimental transmission studies were performed with bat bugs captured within the cave to determine the potential for vector-borne transmission, and sentinel laboratory mice placed inside arthropod-proof cages within the cave to assess the potential for aerosolized transmission. Antibodies to KKV were detected in roof rats (Rattus rattus) inhabiting the cave, in dogs living in the valley, and in humans. Freshly collected cimicids were positive for KKV, but the virus did not replicate in laboratory-inoculated bugs. Sentinel mice placed in Kaeng Khoi cave in open cages consistently became infected with KKV, as determined by the development of neutralizing antibodies. Mice placed in arthropod-proof cages also developed antibodies, indicating the possibility of airborne transmission of KKV.
Pancreatin-Cetyl Pyridinium Chloride Digestion and Decontamination Method; A Novel, Sensitive, Cost-Effective Method for Culturing Mycobacterium tuberculosis
Authors: Shinu Pottathil , Nair Anroop B. , Hussain Snawar , Morsy Mohamed A. , Soliman Wafaa E.
Published: September 2021

The present study evaluated the performance of newly developed pancreatin-cetylpyridinium chloride (pancreatin-CPC) digestion and decontamination method (DDM) with N-acetyl L-Cysteine-sodium hydroxide (NALC-NaOH) DDM for isolation of Mycobacteria from clinically suspected pulmonary tuberculosis (PTB) patients. For the study, sputum samples (n = 613) obtained from clinically suspected PTB cases were subjected to direct microscopy, pretreatment with NALC-NaOH DDM (reference method), and pancreatin-CPC DDM followed by culture, and the data were analyzed. The direct microscopy illustrated diagnostic accuracies of 60.4% (sensitivity), 99.77% (specificity), 98.9% (positive predictive value) and 88.3% (negative predictive value), respectively (against culture) for the detection of Mycobacterial species. The pancreatin-CPC DDM showed competitive diagnostic accuracies (against NALC-NaOH DDM) of 99.32% (sensitivity), 94.07% (specificity), 85.05% (positive predictive value), and 99.76% (negative predictive value), respectively, for the isolation of Mycobacterial species. In conclusion, pancreatin-CPC DMM was a highly sensitive, technically simple, and cost-effective method, suggesting its competence to substitute the currently used NALC-NaOH DDM.
Regulation of Resistance in Vancomycin-Resistant Enterococci: The VanRS Two-Component System
Authors: Guffey Alexandra A. , Loll Patrick J.
Published: September 2021

Vancomycin-resistant enterococci (VRE) are a serious threat to human health, with few treatment options being available. New therapeutics are urgently needed to relieve the health and economic burdens presented by VRE. A potential target for new therapeutics is the VanRS two-component system, which regulates the expression of vancomycin resistance in VRE. VanS is a sensor histidine kinase that detects vancomycin and in turn activates VanR; VanR is a response regulator that, when activated, directs expression of vancomycin-resistance genes. This review of VanRS examines how the expression of vancomycin resistance is regulated, and provides an update on one of the field’s most pressing questions: How does VanS sense vancomycin?
Effects of Heat-Killed Lactococcus lactis Strain Plasma on Skin Homeostasis-Related Genes and the Skin Microbiome among Healthy Adults: A Randomized Controlled Double-Blind Study
Authors: Fujii Toshio , Fujitomo Takashi , Tsuji Ryohei , Kubo Ryuichi , Kato Yukiko , Kanauchi Osamu
Published: September 2021

Lactococcus lactis subsp. lactis strain plasma (LC-plasma) is a bacterial strain that activates plasmacytoid dendritic cells and induces viral resistance genes via the TLR9/MyD88 pathway. We recently showed that oral administration of LC-plasma prevents skin infection by Staphylococcus aureus, possibly by activating skin immunity. In this study, we conducted a double-blind clinical trial to investigate the effect of oral administration of heat-killed LC-plasma on the skin microbiome, gene expression in the skin, and the skin condition of healthy volunteers. Seventy healthy volunteers were randomly assigned to receive either heat-killed LC-plasma or a placebo for eight weeks. Analysis of the skin microbiome by next-generation sequencing suggested that the alpha-diversity of the skin microbiome did not change during the test period in either group. However, the proportion of species that changed significantly during the test period was 10-fold smaller in the LC-plasma group than in the placebo group, suggesting that LC-plasma may maintain the skin microbiome. Quantitative PCR analysis indicated that tight-junction genes, such as CLDN1 and CLDN12, and the antimicrobial peptide gene BD3 were significantly up-regulated in the LC-plasma group but not in the placebo group. Our results suggest that administration of LC-plasma helps to maintain the skin microbiome and that it affects homeostasis-related genes.
Towards Advances in Medicinal Plant Antimicrobial Activity: A Review Study on Challenges and Future Perspectives
Authors: Vaou Natalia , Stavropoulou Elisavet , Voidarou Chrysa , Tsigalou Christina , Bezirtzoglou Eugenia
Published: September 2021

The increasing incidence of drug- resistant pathogens raises an urgent need to identify and isolate new bioactive compounds from medicinal plants using standardized modern analytical procedures. Medicinal plant-derived compounds could provide novel straightforward approaches against pathogenic bacteria. This review explores the antimicrobial activity of plant-derived components, their possible mechanisms of action, as well as their chemical potential. The focus is put on the current challenges and future perspectives surrounding medicinal plants antimicrobial activity. There are some inherent challenges regarding medicinal plant extracts and their antimicrobial efficacy. Appropriate and optimized extraction methodology plant species dependent leads to upgraded and selective extracted compounds. Antimicrobial susceptibility tests for the determination of the antimicrobial activity of plant extracts may show variations in obtained results. Moreover, there are several difficulties and problems that need to be overcome for the development of new antimicrobials from plant extracts, while efforts have been made to enhance the antimicrobial activity of chemical compounds. Research on the mechanisms of action, interplay with other substances, and the pharmacokinetic and/or pharmacodynamic profile of the medicinal plant extracts should be given high priority to characterize them as potential antimicrobial agents.
Regional Geochemical Anomaly Identification Based on Multiple-Point Geostatistical Simulation and Local Singularity Analysis—A Case Study in Mila Mountain Region, Southern Tibet
Authors: Li Cheng , Liu Bingli , Guo Ke , Li Binbin , Kong Yunhui
Published: September 2021

The smoothing effect of data interpolation could cause useful information loss in geochemical mapping, and the uncertainty assessment of geochemical anomaly could help to extract reasonable anomalies. In this paper, multiple-point geostatistical simulation and local singularity analysis (LSA) are proposed to identify regional geochemical anomalies and potential mineral resources areas. Taking Cu geochemical data in the Mila Mountain Region, southern Tibet, as an example, several conclusions were obtained: (1) geochemical mapping based on the direct sampling (DS) algorithm of multiple-point geostatistics can avoid the smoothing effect through geochemical pattern simulation; (2) 200 realizations generated by the direct sampling simulation reflect the uncertainty of an unsampled value, and the geochemical anomaly of each realization can be extracted by local singularity analysis, which shows geochemical anomaly uncertainty; (3) the singularity-quantile (S-Q) analysis method was used to determine the separation thresholds of E-type α, and uncertainty analysis was carried out on the copper anomaly to obtain the anomaly probability map, which should be more reasonable than the interpolation-based geochemical map for geochemical anomaly identification. According to the anomaly probability and favorable geological conditions in the study area, several potential mineral resource targets were preliminarily delineated to provide direction for subsequent mineral exploration.
Procedures of Detecting Damage to a Conveyor Belt with Use of an Inspection Legged Robot for Deep Mine Infrastructure
Authors: Stachowiak Maria , Koperska Wioletta , Stefaniak Paweł , Skoczylas Artur , Anufriiev Sergii
Published: September 2021

Conveying systems are responsible for a large part of continuous horizontal transportation in underground mines. The total length of a conveyor network can reach hundreds of kilometers, while a single conveyor usually has a route length of about 0.5–2 km. The belt is a critical and one of the most costly components of the conveyor, and damage to it can result in long unexpected stoppages of production. This is why proper monitoring of conveyor belts is crucial for continuous operation. In this article, algorithms for the detection of potential damage to a conveyor belt are described. The algorithms for analysis used video recordings of a moving belt conveyor, which, in case the of hazardous conditions of deep mines, can be collected, for example, by a legged autonomous inspection robot. The video was then analyzed frame by frame. In this article, algorithms for edge damage detection, belt deviation, and conveyor load estimation are described. The main goal of the research was to find a potential application for image recognition to detect damage to conveyor belts in mines.
Application of Airborne Magnetic Survey in Deep Iron Ore Prospecting—A Case Study of Jinling Area in Shandong Province, China
Authors: Lu Ning , Liao Guixiang , Xi Yongzai , Zheng Hongshan , Ben Fang , Ding Zhiqiang , Du Liming
Published: September 2021

With the increasing demand for mineral resources, there is an inevitable trend to carry out deep prospecting in existing old mines to find a second or even third mining space. Deep prospecting is also an affordable and practical way to prolong the lives of mines and provide a sustainable supply of mineral resources. The magnetic survey is arguably the most effective method for iron ore prospecting. In this paper, a high resolution airborne magnetic (HRAM) survey for deep iron prospecting in the Jinling iron ore cluster (JIOC) was carried out in 2018, which renewed the field magnetic data of the JIOC obtained in the 1980s. From previous studies, almost all iron deposits in the JIOC are spatially distributed in the contact zone between the intrusive rocks and the surrounding rocks. The key prospecting areas were inferred by delineating intrusive rock boundaries via boundary enhancement and edge detection methods, and one of the areas was verified by drilling.
Bioleaching Coal Gangue with a Mixed Culture of Acidithiobacillus ferrooxidans and Acidithiobacillus thiooxidans
Authors: Chen Zihao , Huang Xinying , He Huan , Tang Jielin , Tao Xiuxiang , Huang Huazhou , Haider Rizwan , Ali Muhammad Ishtiaq , Jamal Asif , Huang Zaixing
Published: September 2021

A mixed culture of A. ferrooxidans and A. thiooxidans isolated from a coal gangue dump was used to bioleach coal gangue in a column reactor to investigate the leaching of elements. The changes of metal ions (Fe, Mn and Cr) and sulfate in the leaching solution, elemental composition, mineral components and sulfur speciation of the coal gangue before and after bioleaching were analyzed by atomic absorption, anion chromatography, XRF, XRD and XPS. The results show that the mixed culture could promote the release of metal ions in coal gangue, with a leaching concentration of Fe > Mn > Cr. EC and Eh have significantly increased with the increase of metal ion concentrations in the leaching solution. XRF analyses show that the contents of Fe, Mn and S decreased in coal gangue after bioleaching. XRD results suggest that the bioleaching has impacts on minerals in coal gangue, particularly the Fe-containing components. XPS analyses show that sulfur speciation in the raw gangue samples was associated with sulfate, dibenzothiophene and pyrite sulfur. After continuous leaching by the mixed culture, the total sulfur, pyrite sulfur and sulfate sulfur in coal gangue decreased from 2.06% to 1.18%, 0.66% to 0.14% and 1.02% to 0.52%. The desulfurization rates of the pyrite and sulfate were 78.79% and 49.02 %. It is concluded that the mixed culture of these two microorganisms could effectively leach metals from coal gangue coupling with the oxidation of sulfide to sulfate. This study has provided fundamental information as a potential application in the recovery of valuable metals from coal gangue or environmental remediation related to gangue in the future.
Osteopontin and Vascular Endothelial Growth Factor-Immunoreactivity in Critical Bone Defects Matrix Production: A Nano-Hydroxyapatite/Beta-Tricalcium Phosphate and Xenogeneic Hydroxyapatite Comparison
Authors: dos Santos Ivonete Sena , da Silva Brum Igor , Vieira de Oliveira Victor Hugo , Rosa Nascimento Ana Lucia , Frigo Lucio , dos Santos Pereira Mario José , de Carvalho Jorge José
Published: September 2021

The development of new bone substitutes has become an area of great interest in materials science. In fact, hydroxyapatite is the most commonly used biomaterial in defects that require bone reconstruction, and that is certainly why the discovery of new products with its formulation has been increasing continuously. The aim of this study was to analyze the biological behavior of a xenogeneic hydroxyapatite widely disclosed in the literature and a synthetic nano-hydroxyapatite/Beta tricalcium phosphate in critical defects in the calvaria of Wistar rats. For this, the groups were divided as follows: 24 adult male Wistar rats were used, weighing between 300 and 350 g, in three groups with eight animals each. In the CTRL group (control), only the clot was kept, without material insertion; in the Bioss group (bovine hydroxyapatite), Bio Oss®—Gleistlich® was introduced; and in the Blue Bone group (REG), the defect was filled in with synthetic nano-hydroxyapatite associated with betatriphosphate of calcium, Blue Bone®—Regener®. According to the results in Goldner’s Trichromics, we can observe a higher percentage of newly formed bone matrix in the REG group than in the CTRL and Bioss groups; in the VEGF, we had a more adequate cell modulation for blood vessel formation in the Blue Bone group (REG) compared to the Bioss and CTRL groups, while in osteopontin, a higher percentage of bone formation was observed in the Blue Bone group (REG) and Bioss group when compared to the CTRL group. We conclude that bone formation, mitosis-inducing cell modulation and main osteoblast activity were higher in the Blue Bone group (REG) than in the CTRL and Bioss groups.
Potassic-Hastingsite from the Kedrovy District (East Siberia, Russia): Petrographic Description, Crystal Chemistry, Spectroscopy, and Thermal Behavior
Authors: Kaneva Ekaterina , Radomskaya Tatiana , Shendrik Roman , Chubarov Victor , Danilovsky Victoria
Published: September 2021

In this work we report on a petrographic, crystal-chemical, and optical characterization, obtained from different analytical methods, of amphibole species. Potassic-hastingsite, ideally AKBCa2C(Fe2+4Fe3+)T(Si6Al2)O22W(OH)2, has been found in the Kedrovy district (East Siberia, Russia). The sample occurs as well-formed and large radially radiant aggregates of dark green, almost black crystals. The unit cell dimensions are a = 9.9724(3) Å, b = 18.2968(4) Å, c = 5.3573(1) Å, β = 104.945(3)°, V = 944.44(4) Å3, Z = 2. Site populations were determined by combining single-crystal structure refinement and electron probe microanalysis, and Fe3+/Fe2+ ratio was obtained from X-ray fluorescence analysis. Infrared, diffuse light UV/Vis/NIR absorption, and electron spin resonance spectra are presented and discussed. A thermoelastic behavior of a powder of potassic-hastingsite was studied by in situ high-temperature X-ray diffraction. A thermal expansion and subsequent significant contraction in the unit cell volume during a high-temperature X-ray powder diffraction experiment is observed as a consequence of the deprotonation process, which is locally balanced via oxidation of Fe2+. According to the data obtained for potassic-hastingsite, these processes occur within 400–600 °C. The thermal expansion of the mineral is anisotropic; the thermal expansivity coefficients αa:αb:αc (×10−6) = −18.06:9.59:−1.09 at 400 °C, −26.15:−1.52:2.22 at 600 °C and 23.77:−25.06:42.08 at 750 °C.
The DNA Recognition Motif of GapR Has an Intrinsic DNA Binding Preference towards AT-rich DNA
Authors: Huang Qian , Duan Bo , Qu Zhi , Fan Shilong , Xia Bin
Published: September 2021

The nucleoid-associated protein GapR found in Caulobacter crescentus is crucial for DNA replication, transcription, and cell division. Associated with overtwisted DNA in front of replication forks and the 3′ end of highly-expressed genes, GapR can stimulate gyrase and topo IV to relax (+) supercoils, thus facilitating the movement of the replication and transcription machines. GapR forms a dimer-of-dimers structure in solution that can exist in either an open or a closed conformation. It initially binds DNA through the open conformation and then undergoes structural rearrangement to form a closed tetramer, with DNA wrapped in the central channel. Here, we show that the DNA binding domain of GapR (residues 1–72, GapRΔC17) exists as a dimer in solution and adopts the same fold as the two dimer units in the full-length tetrameric protein. It binds DNA at the minor groove and reads the spatial distribution of DNA phosphate groups through a lysine/arginine network, with a preference towards AT-rich overtwisted DNA. These findings indicate that the dimer unit of GapR has an intrinsic DNA binding preference. Thus, at the initial binding step, the open tetramer of GapR with two relatively independent dimer units can be more efficiently recruited to overtwisted regions.
A Phage Display-Identified Short Peptide Capable of Hydrolyzing Calcium Pyrophosphate Crystals—The Etiological Factor of Chondrocalcinosis
Authors: Piast Radosław W. , Wieczorek Rafał M. , Marzec Nicola , Garstka Maciej , Misicka Aleksandra
Published: September 2021

Chondrocalcinosis is a metabolic disease caused by the presence of calcium pyrophosphate dihydrate crystals in the synovial fluid. The goal of our endeavor was to find out whether short peptides could be used as a dissolving factor for such crystals. In order to identify peptides able to dissolve crystals of calcium pyrophosphate, we screened through a random library of peptides using a phage display. The first screening was designed to select phages able to bind the acidic part of alendronic acid (pyrophosphate analog). The second was a catalytic assay in the presence of crystals. The best-performing peptides were subsequently chemically synthesized and rechecked for catalytic properties. One peptide, named R25, turned out to possess some hydrolytic activity toward crystals. Its catalysis is Mg2+-dependent and also works against soluble species of pyrophosphate.
Discovery, Development, and Patent Trends on Molnupiravir: A Prospective Oral Treatment for COVID-19
Authors: Imran Mohd. , Kumar Arora Mandeep , Asdaq Syed Mohammed Basheeruddin , Khan Shah Alam , Alaqel Saleh I. , Alshammari Mohammed Kanan , Alshehri Mohammed M. , Alshrari Ahmed Subeh , Mateq Ali Alreshidi , Al-shammeri Ahmed Muteb , Alhazmi Bushra Dhuhayyan , Harshan Aishah Ali , Alam Md. Tauquir , Abida Abida
Published: September 2021

The COVID-19 pandemic needs no introduction at present. Only a few treatments are available for this disease, including remdesivir and favipiravir. Accordingly, the pharmaceutical industry is striving to develop new treatments for COVID-19. Molnupiravir, an orally active RdRp inhibitor, is in a phase 3 clinical trial against COVID-19. The objective of this review article is to enlighten the researchers working on COVID-19 about the discovery, recent developments, and patents related to molnupiravir. Molnupiravir was originally developed for the treatment of influenza at Emory University, USA. However, this drug has also demonstrated activity against a variety of viruses, including SARS-CoV-2. Now it is being jointly developed by Emory University, Ridgeback Biotherapeutics, and Merck to treat COVID-19. The published clinical data indicate a good safety profile, tolerability, and oral bioavailability of molnupiravir in humans. The patient-compliant oral dosage form of molnupiravir may hit the market in the first or second quarter of 2022. The patent data of molnupiravir revealed its granted compound patent and process-related patent applications. We also anticipate patent filing related to oral dosage forms, inhalers, and a combination of molnupiravir with marketed drugs like remdesivir, favipiravir, and baricitinib. The current pandemic demands a patient compliant, safe, tolerable, and orally effective COVID-19 treatment. The authors believe that molnupiravir meets these requirements and is a breakthrough COVID-19 treatment.
Rapid Determination and Quality Control of Pharmacological Volatiles of Turmeric (Curcuma longa L.) by Fast Gas Chromatography–Surface Acoustic Wave Sensor
Authors: Lu Yanyan , Wang Jianbo , Shen Gang , Liu Jiuling , Zhu Hongwei , Zhao Junning , He Shitang
Published: September 2021

Introduction: A novel analytical method using fast gas chromatography combined with surface acoustic wave sensor (GC-SAW) was developed for rapid determination of the pharmacological volatiles of turmeric (Curcuma longa L.). Methods: The volatile compounds in 20 turmeric samples, collected from different parts and different origins, were assessed by the fast GC-SAW. In addition, gas chromatography–mass spectrometry (GC-MS) was employed to confirm the chemical composition of the main volatiles. The digital fingerprint of turmeric was established and analysed by principal component analysis and cluster analysis. Results: Curcumene (9.1%), β-sesquiphellandrene (5.1%) and ar-turmerone (69.63%) were confirmed as the main pharmacological volatiles of turmeric. The content of ar-turmerone in lateral rhizome turmeric was significantly higher than that of top rhizome and ungrouped turmeric. The contents of curcumene and β-sesquiphellandrene in top rhizome turmeric were higher than those in lateral and ungrouped turmeric. The 20 turmeric samples were divided into four categories, which reflected the quality characteristics of the turmeric from different parts and origins. Conclusion: The GC-SAW method can rapidly and accurately detect pharmacologically volatiles of turmeric, and it can be used in the quality control of turmeric.
Characterization and Identification of Bioactive Polyphenols in the Trapabispinosa Roxb. Pericarp Extract
Authors: Iwaoka Yuji , Suzuki Shoichi , Kato Nana , Hayakawa Chisa , Kawabe Satoko , Ganeko Natsuki , Uemura Tomohiro , Ito Hideyuki
Published: September 2021

In this study, we present the isolation and characterization of the structure of six gallotannins (1–6), three ellagitannins (7–9), a neolignan glucoside (10), and three related polyphenolic compounds (gallic acid, 11 and 12) from Trapa bispinosa Roxb. pericarp extract (TBE). Among the isolates, the structure of compound 10 possessing a previously unclear absolute configuration was unambiguously determined through nuclear magnetic resonance and circular dichroism analyses. The α-glucosidase activity and glycation inhibitory effects of the isolates were evaluated. Decarboxylated rugosin A (8) showed an α-glucosidase inhibitory activity, while hydrolyzable tannins revealed stronger antiglycation activity than that of the positive control. Furthermore, the identification and quantification of the TBE polyphenols were investigated by high-performance liquid chromatography coupled to ultraviolet detection and electrospray ionization mass spectrometry analysis, indicating the predominance of gallic acid, ellagic acid, and galloyl glucoses showing marked antiglycation properties. These findings suggest that there is a potential food industry application of polyphenols in TBE as a functional food with antidiabetic and antiglycation activities.
STL1, a New AKT Inhibitor, Synergizes with Flavonoid Quercetin in Enhancing Cell Death in A Chronic Lymphocytic Leukemia Cell Line
Authors: Cervellera Carmen , Russo Maria , Dotolo Serena , Facchiano Angelo , Russo Gian Luigi
Published: September 2021

Using a pharmacophore model based on the experimental structure of AKT-1, we recently identified the compound STL1 (ZINC2429155) as an allosteric inhibitor of AKT-1. STL1, was able to reduce Ser473 phosphorylation, thus inhibiting the PI3K/AKT pathway. Moreover, we demonstrated that the flavonoid quercetin downregulated the phosphorylated and active form of AKT. However, in this case, quercetin inhibited the PI3K/AKT pathway by directly binding the kinases CK2 and PI3K. In the present work, we investigated the antiproliferative effects of the co-treatment quercetin plus STL1 in HG-3 cells, derived from a patient affected by chronic lymphocytic leukemia. Quercetin and STL1 in the mono-treatment maintained the capacity to inhibit AKT phosphorylation on Ser473, but did not significantly reduce cell viability. On the contrary, they activated a protective form of autophagy. When the HG-3 cells were co-treated with quercetin and STL1, their association synergistically (combination index < 1) inhibited cell growth and induced apoptosis. The combined treatment caused the switch from protective to non-protective autophagy. This work demonstrated that cytotoxicity could be enhanced in a drug-resistant cell line by combining the effects of different inhibitors acting in concert on PI3K and AKT kinases.
β-Glucan Extracted from Highland Barley Alleviates Dextran Sulfate Sodium-Induced Ulcerative Colitis in C57BL/6J Mice
Authors: Chen Minjie , Tian Shuhua , Li Shichao , Pang Xinyi , Sun Jing , Zhu Xiaoyu , Lv Fengxia , Lu Zhaoxin , Li Xiangfei
Published: September 2021

Inflammatory bowel disease (IBD), which significantly affects human health, has two primary presentations: Crohn’s disease and ulcerative colitis (UC). Highland barley is the most common food crop for Tibetans and contains much more β-glucan than any other crop. Highland barley β-glucan (HBBG) can relieve the gastrointestinal dysfunction and promote intestines health. This study aimed to evaluate whether HBBG can relieve UC in mice. A mouse model of UC was established by adding 2% dextran sulfate sodium (DSS) to drinking water for 1 week. UC was alleviated after the introduction of the HBBG diet, as indicated by reductions in the disease activity index (DAI) score, histopathological damage, and the concentration of colonic myeloperoxidase (MPO), along with an improvement in colonic atrophy. Furthermore, we found that HBBG can increase the relative transcriptional levels of genes encoding ZO-1, claudin-1, occludin, and mucin2 (MUC2), thereby reducing intestinal permeability. Additionally, HBBG maintained the balance of proinflammatory and anti-inflammatory cytokines and modulated the structure of the intestinal flora.
Sub-Minute Analysis of Lactate from a Single Blood Drop Using Capillary Electrophoresis with Contactless Conductivity Detection in Monitoring of Athlete Performance
Authors: Kubáň Petr , Dosedělová Věra , Martma Kert , Rannama Indrek , Reinpold Karmen , Shimmo Ruth
Published: September 2021

A simple and fast method for the analysis of lactate from a single drop of blood was developed. The finger-prick whole blood sample (10 µL) was diluted (1:20) with a 7% (w/v) solution of [tris(hydroxymethyl)methylamino] propanesulfonic acid and applied to a blood plasma separation device. The device accommodates a membrane sandwich composed of an asymmetric polysulfone membrane and a supporting textile membrane that allows the collection of blood plasma into a narrow glass capillary in less than 20 s. Separated and simultaneously diluted blood plasma was directly injected into a capillary electrophoresis instrument with a contactless conductivity detector (CE-C4D) and analyzed in less than one minute. A separation electrolyte consisted of 10 mmol/L l-histidine, 15 mmol/L dl-glutamic acid, and 30 µmol/L cetyltrimethylammonium bromide. The whole procedure starting from the finger-prick sampling until the CE-C4D analysis was finished, took less than 5 min and was suitable for monitoring lactate increase in blood plasma during incremental cycling exercise. The observed lactate increase during the experiments measured by the developed CE-C4D method correlated well with the results from a hand-held lactate analyzer (R = 0.9882). The advantage of the developed CE method is the speed, significant savings per analysis, and the possibility to analyze other compounds from blood plasma.
Using HPLC–DAD and GC–MS Analysis Isolation and Identification of Anticandida Compounds from Gui Zhen Cao Herbs (Genus Bidens): An Important Chinese Medicinal Formulation
Authors: Zahara Kulsoom , Bibi Yamin , Masood Saadia , Nisa Sobia , Qayyum Abdul , Ishaque Muhammad , Shahzad Khurram , Ahmed Waseem , Shah Zahid Hussain , Alsamadany Hameed , Yang Seung-Hwan , Chung Gyuhwa
Published: September 2021

Gui Zhen Cao is an herbal formulation that has been documented in Chinese traditional medicine as a remedy for diarrhea, dysentery, inflammation, and toxicity. The sources of this formulation (Bidens pilosa L., Bidens biternata (Lour.) Merr. & Sherff, Bidens bipinnata L.) are also listed in ethnomedicinal reports all over the world. In this study, all these plants are tested for in vitro anticandida activity. A quantitative evaluation of the phytochemicals in all these plants indicated that their vegetative parts are rich in tannins, saponins, oxalates, cyanogenic glycoside and lipids; moreover, the roots have high percentages of alkaloids, flavonoids, and phenols. The results indicated significant anticandida activity, especially for the hexane extract of B. bipinnata leaves which inhibited C. albicans (42.54%), C. glabrata (46.98%), C. tropicalis (50.89%), C. krusei (40.56%), and C. orthopsilosis (50.24%). The extract was subjected to silica gel chromatography and 220 fractions were obtained. Purification by High Performance Liquid Chromatography with Diode-Array Detection (HPLC–DAD) and Gas Chromatography tandem Mass Spectrometry (GC-MS/MS) analysis led to the identification of two anticandida compounds: dehydroabietic and linoleic acid having an inhibition of 85 and 92%, respectively.
Identification of the Protein Glycation Sites in Human Myoglobin as Rapidly Induced by d-Ribose
Authors: Liu Jing-Jing , You Yong , Gao Shu-Qin , Tang Shuai , Chen Lei , Wen Ge-Bo , Lin Ying-Wu
Published: September 2021

Protein glycation is an important protein post-translational modification and is one of the main pathogenesis of diabetic angiopathy. Other than glycated hemoglobin, the protein glycation of other globins such as myoglobin (Mb) is less studied. The protein glycation of human Mb with ribose has not been reported, and the glycation sites in the Mb remain unknown. This article reports that d-ribose undergoes rapid protein glycation of human myoglobin (HMb) at lysine residues (K34, K87, K56, and K147) on the protein surface, as identified by ultra-high performance liquid chromatography-mass spectrometry (UHPLC-MS) and electrospray ionization tandem mass spectrometry (ESI-MS/MS). Moreover, glycation by d-ribose at these sites slightly decreased the rate of the met heme (FeIII) in reaction with H2O2 to form a ferryl heme (FeIV=O). This study provides valuable insight into the protein glycation by d-ribose and provides a foundation for studying the structure and function of glycated heme proteins.
Oral and Topical Anti-Inflammatory and Antipyretic Potentialities of Araucaria bidiwillii Shoot Essential Oil and Its Nanoemulsion in Relation to Chemical Composition
Authors: Abdelhameed Mohamed F. , Asaad Gihan F. , Ragab Tamer I. M. , Ahmed Rania F. , El Gendy Abd El-Nasser G. , Abd El-Rahman Sahar S. , Elgamal Abdelbaset M. , Elshamy Abdelsamed I.
Published: September 2021

Different parts of Araucaria bidiwillii (bunya pin) trees, such as nuts, seeds, bark, and shoots, are widely used in cooking, tea, and traditional medicines around the world. The shoots essential oil (EO) has not yet been studied. Herein, the chemical profile of A. bidiwillii shoots EO (ABSEO) was created by GC–MS analysis. Additionally, the in vivo oral and topical anti-inflammatory effect against carrageenan-induced models, as well as antipyretic potentiality of ABSEO and its nanoemulsion were evaluated. Forty-three terpenoid components were identified and categorized as mono- (42.94%), sesqui- (31.66%), and diterpenes (23.74%). The main compounds of the ABSEO were beyerene (20.81%), α-pinene (16.21%), D-limonene (14.22%), germacrene D (6.69%), β-humulene (4.14%), and sabinene (4.12%). The ABSEO and its nanoemulsion exhibited significant inflammation suppression in carrageenan-induced rat paw edema model, in both oral (50 and 100 mg/kg) and topical (5% in soyabean oil) routes, compared to the control and reference drugs groups. All the results demonstrated the significant inflammation reduction via the inflammatory cytokines (IL-1β and IL8), nitrosative (NO), and prostaglandin E2 (PGE2) supported by the histopathological studies and immunohistochemical assessment of MMP-9 and NF-κβ levels in paw tissues. Moreover, the oral administration of ABSEO and its nanoemulsion (50 and 100 mg/kg) exhibited antipyretic activity in rats, demonstrated by the inhibition of hyperthermia induced by intramuscular injection of brewer’s yeast. These findings advised that the use of ABSEO and its nanoemulsion against numerous inflammatory and hyperthermia ailments that could be attributed to its active constituents.
Off-Flavor Removal from Sheep Placenta via Fermentation with Novel Yeast Strain Brettanomyces deamine kh3 Isolated from Traditional Apple Vinegar
Authors: Choi Han-Sol , Ha Keum-Yun , Xu Xing-Yue , Kang Hee-Cheol , Kim Hoon , Kim Yeon-Ju
Published: September 2021

Animal placentae can be used as health-promoting food ingredients with various therapeutic efficacies, but their use is limited by their unpleasant odor and taste. This study aimed to investigate the possibility of deodorization of sheep placenta via yeast fermentation. A yeast strain was successfully isolated and identified as a novel Brettanomyces strain (Brettanomyces deamine kh3). The deodorizing efficacy of fermentation of the sheep placenta with B. deamine kh3 was evaluated by 42 panels, based on evaluation of preference, ranking, and aroma profiles, and compared with normal placenta and placenta fermented with B. bruxellensis. The results of the sensory evaluation indicated that fermentation of the sheep placenta with B. deamine kh3 may improve its palatability by increasing flavors such as that of grass (tree), rubber, and burnt, and by decreasing the odor and soy sauce flavor. Solid-phase microextraction-gas chromatography (SPME-GC) showed that major off-flavors in sheep placenta, such as ammonia, dimethyl disulfide, and 1,3-dioxolane, were completely diminished in the sheep placenta fermented with B. deamine kh3. This study presents those major volatile compounds, including 2-isobutyl\-4,4-dimethyl-1,3-dioxane, and 3-methyl-1-butanol, could be crucial in improving the palatability of the sheep placentae fermented with B. deamine kh3. This study provides a good starting point for the industrial application of a new deodorization method.
Fishing of α-Glucosidase’s Ligands from Aloe vera by α-Glucosidase Functionalized Magnetic Nanoparticles
Authors: Yuan Hao , Wan Hong , Hu Yi-Kao , Ayeni Emmanuel Ayodeji , Chang Qiang , Ma Chao , Liao Xun
Published: September 2021

α-Glucosidase was immobilized on magnetic nanoparticles (MNPs) for selective solid-phase extraction of the enzyme’s ligands present in Aloe vera, which is a medicinal plant used for the treatment of various diseases and possesses anti-diabetic activity. One new compound, aloeacone (2), together with two known compounds, aloenin aglycone (1) and aloin A (3), were fished out as the enzyme’s ligands. The structure of 2 was determined by HR-MS and comprehensive NMR techniques. Compound 3 exhibited a weak inhibitory effect on α-glucosidase, while compounds 1 and 2 were found to possess activation effects on the enzyme for the first time. It is interesting that both an inhibitor and agonists of α-glucosidase were fished out in one experiment.
An Insight into Sesamolin: Physicochemical Properties, Pharmacological Activities, and Future Research Prospects
Authors: Rosalina Reny , Weerapreeyakul Natthida
Published: September 2021

Sesame seeds are rich in lignan content and have been well-known for their health benefits. Unlike the other sesame lignan compounds (i.e., sesamin and sesamol), the study of the pharmacological activity of sesamolin has not been explored widely. This review, therefore, summarizes the information related to sesamolin’s pharmacological activities, and the mechanism of action. Moreover, the influence of its physicochemical properties on pharmacological activity is also discussed. Sesamolin possessed neuroprotective activity against hypoxia-induced reactive oxygen species (ROS) and oxidative stress in neuron cells by reducing the ROS and inhibiting apoptosis. In skin cancer, sesamolin exhibited antimelanogenesis by affecting the expression of the melanogenic enzymes. The anticancer activity of sesamolin based on antiproliferation and inhibition of migration was demonstrated in human colon cancer cells. In addition, treatment with sesamolin could stimulate immune cells to enhance the cytolytic activity to kill Burkitt’s lymphoma cells. However, the toxicity and safety of sesamolin have not been reported. And there is also less information on the experimental study in vivo. The limited aqueous solubility of sesamolin becomes the main problem, which affects its pharmacological activity in the in vitro experiment and clinical efficacy. Therefore, solubility enhancement is needed for further investigation and determination of its pharmacological activity profiles. Since there are fewer reports studying this issue, it could become a future prospective research opportunity.
Molecular Docking, DFT Calculations, Effect of High Energetic Ionizing Radiation, and Biological Evaluation of Some Novel Metal (II) Heteroleptic Complexes Bearing the Thiosemicarbazone Ligand
Authors: Abdalla Ehab M. , Hassan Safaa S. , Elganzory Hussein H. , Aly Samar A. , Alshater Heba
Published: September 2021

New Pb(II), Mn(II), Hg(II), and Zn(II) complexes, derived from 4-(4-chlorophenyl)-1-(2-(phenylamino)acetyl)thiosemicarbazone, were synthesized. The compounds with general formulas, [Pb(H2L)2(OAc)2]ETOH.H2O, [Mn(H2L)(HL)]Cl, [Hg2(H2L)(OH)SO4], and [Zn(H2L)(HL)]Cl, were characterized by physicochemical and theoretical studies. X-ray diffraction studies showed a decrease in the crystalline size of compounds that were exposed to gamma irradiation (γ-irradiation). Thermal studies of the synthesized complexes showed thermal stability of the Mn(II) and Pb(II) complexes after γ-irradiation compared to those before γ–irradiation, while no changes in the Zn(II) and Hg(II) complexes were observed. The optimized geometric structures of the ligand and metal complexes are discussed regarding density functional theory calculations (DFT). The antimicrobial activities of the ligand and metal complexes against several bacterial and fungal stains were screened before and after irradiation. The Hg(II) complex has shown excellent antibacterial activity before and after γ-irradiation. In vitro cytotoxicity screening of the ligand and the Mn(II) and Zn(II) complexes before and after γ-irradiation disclosed that both the ligand and Mn(II) complex exhibited higher activity against human liver (Hep-G2) than Zn(II). Molecular docking was performed on the active site of MK-2 and showed good results.
Whey Proteins as a Potential Co-Surfactant with Aesculus hippocastanum L. as a Stabilizer in Nanoemulsions Derived from Hempseed Oil
Authors: Smułek Wojciech , Siejak Przemysław , Fathordoobady Farahnaz , Masewicz Łukasz , Guo Yigong , Jarzębska Małgorzata , Kitts David D. , Kowalczewski Przemysław Łukasz , Baranowska Hanna Maria , Stangierski Jerzy , Szwajca Anna , Pratap-Singh Anubhav , Jarzębski Maciej
Published: September 2021

The use of natural surfactants including plant extracts, plant hydrocolloids and proteins in nanoemulsion systems has received commercial interest due to demonstrated safety of use and potential health benefits of plant products. In this study, a whey protein isolate (WPI) from a byproduct of cheese production was used to stabilize a nanoemulsion formulation that contained hempseed oil and the Aesculus hippocastanum L. extract (AHE). A Box–Behnken experimental design was used to set the formulation criteria and the optimal nanoemulsion conditions, used subsequently in follow-up experiments that measured specifically emulsion droplet size distribution, stability tests and visual quality. Regression analysis showed that the concentration of HSO and the interaction between HSO and the WPI were the most significant factors affecting the emulsion polydispersity index and droplet size (nm) (p < 0.05). Rheological tests, Fourier transform infrared spectroscopy (FTIR) analysis and L*a*b* color parameters were also taken to characterize the physicochemical properties of the emulsions. Emulsion systems with a higher concentration of the AHE had a potential metabolic activity up to 84% in a microbiological assay. It can be concluded from our results that the nanoemulsion system described herein is a safe and stable formulation with potential biological activity and health benefits that complement its use in the food industry.
MetaClass, a Comprehensive Classification System for Predicting the Occurrence of Metabolic Reactions Based on the MetaQSAR Database
Authors: Mazzolari Angelica , Scaccabarozzi Alice , Vistoli Giulio , Pedretti Alessandro
Published: September 2021

(1) Background: Machine learning algorithms are finding fruitful applications in predicting the ADME profile of new molecules, with a particular focus on metabolism predictions. However, the development of comprehensive metabolism predictors is hampered by the lack of highly accurate metabolic resources. Hence, we recently proposed a manually curated metabolic database (MetaQSAR), the level of accuracy of which is well suited to the development of predictive models. (2) Methods: MetaQSAR was used to extract datasets to predict the metabolic reactions subdivided into major classes, classes and subclasses. The collected datasets comprised a total of 3788 first-generation metabolic reactions. Predictive models were developed by using standard random forest algorithms and sets of physicochemical, stereo-electronic and constitutional descriptors. (3) Results: The developed models showed satisfactory performance, especially for hydrolyses and conjugations, while redox reactions were predicted with greater difficulty, which was reasonable as they depend on many complex features that are not properly encoded by the included descriptors. (4) Conclusions: The generated models allowed a precise comparison of the propensity of each metabolic reaction to be predicted and the factors affecting their predictability were discussed in detail. Overall, the study led to the development of a freely downloadable global predictor, MetaClass, which correctly predicts 80% of the reported reactions, as assessed by an explorative validation analysis on an external dataset, with an overall MCC = 0.44.