bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular Docking and Molecular Dynamics Studies of Antidiabetic Phenolic Compound Isolated from Leaf Extract of Englerophytum magalismontanum (Sond.) T.D.Penn.
Authors: Olaokun Oyinlola Oluwunmi , Manonga Sizakele Annousca , Zubair Muhammad Sulaiman , Maulana Saipul , Mkolo Nqobile Monate
Published: May 2022

Englerophytum magalismontanum, a medicinal plant with ethnopharmacology use, has a dearth of information regarding its antidiabetic properties. This study evaluated the crude methanol leaf extract of E. magalismontanum and its fractions for total phenolic content, antioxidant activity, and digestive enzymes (α-amylase and α-glucosidase) inhibitory activity using standard methods. The total phenolic content (56.53 ± 1.94 mg GAE/g dry extract) and DPPH Trolox antioxidant equivalent (TAE) (1.51 ± 0.66 µg/mL) of the methanol fraction were the highest among the fractions. The IC50 values of the methanol fraction against α-amylase (10.76 ± 1.33 µg/mL) and α-glucosidase (12.25 ± 1.05 µg/mL) activities were also high. Being the most active, the methanol fraction was subjected to bio-assay guided column chromatography-based enzyme inhibition to obtain a pure compound. The phenolic compound isolated and identified as naringenin inhibited α-amylase and α-glucosidase with IC50 of 5.81 ± 2.14 µg/mL and 4.77 ± 2.99 µg/mL, respectively. This is the first study to isolate naringenin from E. magalismontanum extract. The molecular docking and molecular dynamics studies demonstrated naringenin as a promising lead compound in comparison to acarbose for the treatment of diabetes through the inhibition of α-glucosidase activity.
Recovery of 177Lu from Irradiated HfO2 Targets for Nuclear Medicine Purposes
Authors: Kazakov Andrey G. , Ekatova Taisya Y. , Babenya Julia S. , Belyshev Sergey S. , Khankin Vadim V. , Kuznetsov Alexander A. , Vinokurov Sergey E. , Myasoedov Boris F.
Published: May 2022

A new method of production of one of the most widely used isotopes in nuclear medicine, 177Lu, with high chemical purity was developed; this method includes irradiation of the HfO2 target with bremsstrahlung photons. The irradiated target was dissolved in HF and then diluted and placed onto a column filled with LN resin. Quantitative sorption of 177Lu could be observed during this process. The column later was rinsed with the mixture of 0.1 M HF and 1 M HNO3 and then 2 M HNO3 to remove impurities. Quantitative desorption of 177Lu was achieved by using 6 M HNO3. The developed method of 177Lu production ensures high purification of this isotope from macroquantities of hafnium and zirconium and radioactive impurities of carrier-free yttrium. The content of 177mLu in 177Lu in photonuclear production was determined. Due to high chemical and radionuclide purity, 177Lu obtained by the developed method can be used in nuclear medicine.
Ultrasound-Assisted Synthesis of Fluorescent Azatetracyclic Derivatives: An Energy-Efficient Approach
Authors: Zbancioc Gheorghita , Ciobanu Catalina-Ionica , Mangalagiu Ionel I. , Moldoveanu Costel
Published: May 2022

We report here an energy-efficient and straight synthesis of two new classes of derivatized fluorescent azatetracycles under ultrasound (US) irradiation. A first class of azatetracyclic compounds was synthesized by heterogeneous catalytic bromination of the α-keto substituent attached to the pyrrole moiety of the tetracyclic cycloadducts, while for the second, one class was synthesized by nucleophilic substitution of the bromide with the azide group. Comparative with conventional thermal heating (TH) under US irradiation, both types of reactions occur with substantially higher yields, shortened reaction time (from days to hours), lesser energy consumed, easier workup of the reaction, and smaller amounts of solvent required (at least three to five-fold less compared to TH), which make these reactions to be considered as energy efficient. The derivatized azatetracycle are blue emitters with λmax of fluorescence around 430–445 nm. A certain influence of the azatetracycle substituents concerning absorption and fluorescent properties was observed. Compounds anchored with a bulky azide group have shown decreased fluorescence intensity compared with corresponding bromides.
Chalcone Scaffolds Exhibiting Acetylcholinesterase Enzyme Inhibition: Mechanistic and Computational Investigations
Authors: Malik Yossra A. , Awad Talal Ahmed , Abdalla Mohnad , Yagi Sakina , Alhazmi Hassan A. , Ahsan Waquar , Albratty Mohammed , Najmi Asim , Muhammad Shabbir , Khalid Asaad
Published: May 2022

This study was aimed to perform the mechanistic investigations of chalcone scaffold as inhibitors of acetylcholinesterase (AChE) enzyme using molecular docking and molecular dynamics simulation tools. Basic chalcones (C1–C5) were synthesized and their in vitro AChE inhibition was tested. Binding interactions were studied using AutoDock and Surflex-Dock programs, whereas the molecular dynamics simulation studies were performed to check the stability of the ligand–protein complex. Good AChE inhibition (IC50 = 22 ± 2.8 to 37.6 ± 0.75 μM) in correlation with the in silico results (binding energies = −8.55 to −8.14 Kcal/mol) were obtained. The mechanistic studies showed that all of the functionalities present in the chalcone scaffold were involved in binding with the amino acid residues at the binding site through hydrogen bonding, π–π, π–cation, π–sigma, and hydrophobic interactions. Molecular dynamics simulation studies showed the formation of stable complex between the AChE enzyme and C4 ligand.
Mild Organosolv Delignification of Residual Aspen Bark after Extractives Isolation as a Step in Biorefinery Processing Schemes
Authors: Pals Matiss , Lauberts Maris , Zijlstra Douwe S. , Ponomarenko Jevgenija , Arshanitsa Alexandr , Deuss Peter J.
Published: May 2022

European aspen (Populus tremula (L.) (Salicaceae)) bark is a promising raw material in multi-step biorefinery schemes due to its wide availability and higher content of secondary metabolites in comparison to stem wood biomass. The main objective of this study was to investigate the major cell wall component-enriched fractions that were obtained from aspen bark residue after extractives isolation, primarily focusing on integration of separated lignin fractions and cellulose-enriched bark residue into complex valorization pathways. The “lignin first” biorefinery approach was applied using mild organosolv delignification. The varying solvent systems and process conditions for optimal delignification of residual aspen bark biomass were studied using a response surface methodology approach. The conditions for maximum process desirability at which the highest amount of lignin-enriched fraction was separated were as follows: 20-h treatment time at 117 °C, butanol/water 4:1 (v/v) solvent system with solid to liquid ratio of 1 to 10. At optimal separation conditions, lignin-enriched fraction exhibited a higher content of β–O–4 linkages vs. C–C linkages content in its structure as well as a high amount of hydroxyl groups, being attractive for its further valorization. At the same time, the content of glucose in products of cellulose-enriched residue hydrolysis was 52.1%, increased from 10.3% in untreated aspen bark. This indicates that this fraction is a promising raw material for obtaining cellulose and fermentable glucose. These results show that mild organosolv delignification of extracted tree bark can be proposed as a novel biorefinery approach for isolation of renewable value-added products with various application potentials.
Dipterocarpol in Oleoresin of Dipterocarpus alatus Attributed to Cytotoxicity and Apoptosis-Inducing Effect
Authors: Puthongking Ploenthip , Yongram Chawalit , Katekaew Somporn , Sungthong Bunleu , Weerapreeyakul Natthida
Published: May 2022

Dipterocarpus alatus Roxb. ex G. Don is widely found in Southeast Asia. Its oleo-resin has reportedly been used in biodiesel production. Two different biodiesel production processes produce resinous byproducts, namely degumming (DG) and distillation (DT). Gas chromatography-mass spectrometry identified sesquiterpenes and triterpenes in oleo-resin, DG, and DT; and long-chain hydrocarbons in oleo-resin. High-performance liquid chromatography detected dipterocarpol as a marker compound, with the highest to lowest amounts detected in DG, DT, and oleo-resin, respectively. Oleo-resin, DG, and DT exerted more cytotoxicity than dipterocarpol, and melphalan, a chemotherapeutic drug. Oleo-resin, DG, and DT exerted cytotoxicity to a different degree in T cell leukemia (Jurkat), cervical adenocarcinoma (HeLa), and human hepatocellular carcinoma (HepG2) cells, while the highest selectivity was found in the Jurkat cells compared to the non-cancer Vero cells. Dipterocarpol exhibited the highest cytotoxicity in HepG2 cells and the lowest cytotoxicity in Jurkat cells. Oleo-resin, DG, and DT induced apoptosis in Jurkat cells. In oleo-resin, DG, and DT, dipterocarpol and other compounds may act in synergy leading to cytotoxicity and an apoptosis-inducing effect. Oleo-resin, DG, and DT could be potential sources for anticancer agents. Dipterocarpol could serve as a biomarker for follow ups on the anticancer activity of a sample from D. alatus.
Advances on Bioanalysis: Recent Approaches in the Determination of Biomarkers, Drugs of Abuse and Medicines
Authors: Barroso Mário , Gallardo Eugenia , Passarinha Luís A.
Published: May 2022

New developments in instrumental approaches, for instance, hyphenated techniques, have allowed great advances in the bioanalytical field over the last half century, and there is no doubt that toxicology was one of the most improved areas [...]
Rapid Purification of Fucoxanthin from Phaeodactylum tricornutum
Authors: Zhao Xinjie , Gao Liwei , Zhao Xiangzhong
Published: May 2022

Fucoxanthin is a natural marine xanthophyll and exhibits a broad range of biological activities. In the present study, a simple and efficient two-step method was used to purify fucoxanthin from the diatom, Phaeodactylum tricornutum. The crude pigment extract of fucoxanthin was separated by silica gel column chromatography (SGCC). Then, the fucoxanthin-rich fraction was purified using a hydrophile–lipophile balance (HLB) solid-phase extraction column. The identification and quantification of fucoxanthin were determined by high-performance liquid chromatography (HPLC) and electrospray ionization mass spectrometry (ESI-MS). This two-step method can obtain 92.03% pure fucoxanthin and a 76.67% recovery rate. In addition, 1H and 13C NMR spectrums were adopted to confirm the identity of fucoxanthin. Finally, the purified fucoxanthin exhibited strong antioxidant properties in vitro with the effective concentration for 50% of maximal scavenging (EC50) of 1,1-Dihpenyl-2-picrylhydrazyl (DPPH) and 2,2′-Azinobis-(3-ethylbenzthiazoline-6-sulphonate) (ABTS) free radicals being 0.14 mg·mL−1 and 0.05 mg·mL−1, respectively.
Use of Fluorescent 2-AB to Explore the Bidirectional Transport Mechanism of Pseudostellaria heterophylla Polysaccharides across Caco-2 Cells
Authors: Yang Bin , Li Yuan , Shi Wentao , Liu Yingying , Kan Yongjun , Chen Jinlong , Hu Juan , Pang Wensheng
Published: May 2022

Polysaccharides are abundant in natural resources and perform numerous physiological functions. Polysaccharide structures often lack chromophore groups; thus, current analytical methods cannot distinguish polysaccharide metabolites in the body or polysaccharide prototypes in biological samples. Thus, the measurement of polysaccharides in blood, bodily fluid, and cell-culture medium is difficult. Our early-stage research resulted in the isolation of two homogeneous polysaccharides from Pseudostellaria heterophylla, PHP0.5MSC-F and PHPH-1-2, which have anti-hyperglycemia and insulin resistance improvement effects for type 2 diabetes. In this study, the reducing terminal sugars of PHP0.5MSC-F and PHPH-1-2 were labeled with 2-aminobenzamide (2-AB) to prepare novel fluorescent probes for HPLC-coupled fluorescence detection (HPLC-FLD). Quantitative analysis was performed in reference to T40, and the detection limit for PHP0.5MSC-F was found to be 8.84 μg/mL with a linear range of 29.45–683.28 μg/mL. In reference to T70, the detection limit for PHPH-1-2 was found to be 13.89 μg/mL with a linear range of 46.29–462.76 μg/mL. This method was used to measure the bidirectional transport of polysaccharides across caco-2 cells from apical to basolateral (AP→BL) or from basolateral to apical (BL→AP) directions and to evaluate the polysaccharide bioavailability. The drug absorption capacity was determined based on the apparent permeability coefficient (Papp), and the Papp values for the two polysaccharides were found to be greater than 1 × 10−6 cm/s, which suggests easy absorption. Regarding bidirectional transport, the AP→BL Papp values were greater than the BL→AP values; thus, PHP0.5MSC-F and PHPH-1-2 mainly underwent passive transference. The two membrane permeable polysaccharides were not P-gp efflux transporter substrates. The absorption mechanism of PHP0.5MSC-F complies with passive diffusion under a concentration gradient, whereas PHPH-1-2 mainly utilizes a clathrin-mediated endocytic pathway to enter caco-2 cells. This innovative HPLC-FLD method can help to track polysaccharide internalization in vitro and in vivo to facilitate cellular uptake and biodistribution exploration.
Non-Alcoholic Fatty Liver Disease in Long-Term Type 2 Diabetes: Role of rs738409 PNPLA3 and rs499765 FGF21 Polymorphisms and Serum Biomarkers
Authors: Mana Mauy Frujuello , Parisi Maria Cândida R. , Correa-Giannella Maria Lucia , Neto Arnaldo Moura , Yamanaka Ademar , Cunha-Silva Marlone , Cavaleiro Ana Mercedes , dos Santos Cristina Rodrigues , Pavan Célia Regina , Sevá-Pereira Tiago , Dertkigil Sergio S. J. , Mazo Daniel F.
Published: May 2022

Fibroblast growth factor 21 (FGF21) signaling and genetic factors are involved in non-alcoholic fatty liver disease (NAFLD) pathogenesis. However, these factors have rarely been studied in type 2 diabetes mellitus (T2D) patients from admixed populations such as in those of Brazil. Therefore, we aimed to evaluate rs738409 patanin-like phospholipase domain-containing protein (PNPLA3) and rs499765 FGF21 polymorphisms in T2D, and their association with NAFLD, liver fibrosis, and serum biomarkers (FGF21 and cytokeratin 18 levels). A total of 158 patients were included, and the frequency of NAFLD was 88.6%, which was independently associated with elevated body mass index. Significant liver fibrosis (≥F2) was detected by transient elastography (TE) in 26.8% of NAFLD patients, and was independently associated with obesity, low density lipoprotein, and gamma-glutamyl transferase (GGT). PNPLA3 GG genotype and GGT were independently associated with cirrhosis. PNPLA3 GG genotype patients had higher GGT and AST levels; PNPLA3 GG carriers had higher TE values than CG patients, and FGF21 CG genotype patients showed lower gamma-GT values than CC patients. No differences were found in serum values of FGF21 and CK18 in relation to the presence of NAFLD or liver fibrosis. The proportion of NAFLD patients with liver fibrosis was relevant in the present admixed T2D population, and was associated with PNPLA3 polymorphisms.
Neuroinflammatory Markers: Key Indicators in the Pathology of Neurodegenerative Diseases
Authors: Rauf Abdur , Badoni Himani , Abu-Izneid Tareq , Olatunde Ahmed , Rahman Md. Mominur , Painuli Sakshi , Semwal Prabhakar , Wilairatana Polrat , Mubarak Mohammad S.
Published: May 2022

Neuroinflammation, a protective response of the central nervous system (CNS), is associated with the pathogenesis of neurodegenerative diseases. The CNS is composed of neurons and glial cells consisting of microglia, oligodendrocytes, and astrocytes. Entry of any foreign pathogen activates the glial cells (astrocytes and microglia) and overactivation of these cells triggers the release of various neuroinflammatory markers (NMs), such as the tumor necrosis factor-α (TNF-α), interleukin-1β (IL-1β), interleukin-1β (IL-10), nitric oxide (NO), and cyclooxygenase-2 (COX-2), among others. Various studies have shown the role of neuroinflammatory markers in the occurrence, diagnosis, and treatment of neurodegenerative diseases. These markers also trigger the formation of various other factors responsible for causing several neuronal diseases including Alzheimer’s disease (AD), Parkinson’s disease (PD), Huntington’s disease (HD), multiple sclerosis (MS), ischemia, and several others. This comprehensive review aims to reveal the mechanism of neuroinflammatory markers (NMs), which could cause different neurodegenerative disorders. Important NMs may represent pathophysiologic processes leading to the generation of neurodegenerative diseases. In addition, various molecular alterations related to neurodegenerative diseases are discussed. Identifying these NMs may assist in the early diagnosis and detection of therapeutic targets for treating various neurodegenerative diseases.
Comparative Analysis of Volatile Constituents in Root Tuber and Rhizome of Curcuma longa L. Using Fingerprints and Chemometrics Approaches on Gas Chromatography–Mass Spectrometry
Authors: Tang Guang-Mei , Shi Yi-Ting , Gao Wen , Li Meng-Ning , Li Ping , Yang Hua
Published: May 2022

The root tuber and rhizome of Curcuma longa L., abbreviated, respectively, as RCL and RHCL, are used as different medicines in China. In this work, volatile oils were extracted from RCL and RHCL. Then, gas chromatography–mass spectrometry (GC–MS) was used for RCL and RHCL volatile oils analysis, and 45 compounds were identified. The dominant constituents both in volatile oils of RCL and RHCL were turmerone, (−)-zingiberene, and β-turmerone, which covered more than 60% of the total area. The chromatographic fingerprint similarities between RCL and RHCL were not less than 0.943, indicating that their main chemical compositions were similar. However, there were also some compounds that were varied in RCL and RHCL. Based on the peak area ratio of 45 compounds, the RCL and RHCL samples were separated into principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA). Then, 20 compounds with a variable importance for the projection (VIP) value of more than 1 were the high potential contributors for RCL and RHCL differences. Furthermore, ferric ion-reducing antioxidant power (FRAP) assay results demonstrated that the volatile oils of RCL and RHCL had antioxidant activities. This study provided the material basis for the research of volatile components in RCL and RHCL and contributed to their further pharmacological research and quality control.
A Panchromatic Cyclometalated Iridium Dye Based on 2-Thienyl-Perimidine
Authors: Kalle Paulina , Kiseleva Marina A. , Tatarin Sergei V. , Smirnov Daniil E. , Zakharov Alexander Y. , Emets Viktor V. , Churakov Andrei V. , Bezzubov Stanislav I.
Published: May 2022

Though 2-arylperimidines have never been used in iridium(III) chemistry, the present study on structural, electronic and optical properties of N-unsubstituted and N-methylated 2-(2-thienyl)perimidines, supported by DFT/TDDFT calculations, has shown that these ligands are promising candidates for construction of light-harvesting iridium(III) complexes. In contrast to N-H perimidine, the N-methylated ligand gave the expected cyclometalated μ-chloro-bridged iridium(III) dimer which was readily converted to a cationic heteroleptic complex with 4,4′-dicarboxy-2,2′-bipyridine. The resulting iridium(III) dye exhibited panchromatic absorption up to 1000 nm and was tested in a dye-sensitized solar cell.
Interactions between Hydrolysable Tannins and Lipid Vesicles from Escherichia coli with Isothermal Titration Calorimetry
Authors: Virtanen Valtteri , Green Rebecca J. , Karonen Maarit
Published: May 2022

Isothermal titration calorimetry (ITC) was used to study the interactions between hydrolysable tannins (HTs) and lipid vesicles prepared from a phospholipid extract of Escherichia coli (E. coli). A group of 24 structurally different HTs was selected, and structural differences affecting their affinities to interact with lipid vesicles in aqueous buffered media were identified. In general, the interactions between HTs and lipid vesicles were exothermic in nature, and ITC as a technique functioned well in the screening of HTs for their affinity for lipids. Most notably, the galloyl moiety, the structural flexibility of the entire tannin structure, the hydrophobicity of the tannin, and higher molecular weight were observed to be important for the stronger interactions with the lipids. The strongest interactions with lipids were observed for rugosins D and G. It was also observed that some HTs with moderate hydrophobicities, such as geraniin, chebulagic acid, and chebulinic acid, did not have any detectable interactions with the lipid vesicles, suggesting that a hydrophobic structure alone does not guarantee an affinity for lipids.
Biogenic Synthesis of CuO, ZnO, and CuO–ZnO Nanoparticles Using Leaf Extracts of Dovyalis caffra and Their Biological Properties
Authors: Adeyemi Jerry O. , Onwudiwe Damian C. , Oyedeji Adebola O.
Published: May 2022

Biogenic metal oxide nanoparticles (NPs) have emerged as a useful tool in biology due to their biocompatibility properties with most biological systems. In this study, we report the synthesis of copper oxide (CuO), zinc oxide (ZnO) nanoparticles (NPs), and their nanocomposite (CuO–ZnO) prepared using the phytochemical extracts from the leaves of Dovyalis caffra (kei apple). The physicochemical properties of these nanomaterials were established using some characterization techniques including X-ray diffraction analysis (XRD), ultraviolet-visible spectroscopy (UV-vis), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and energy-dispersive X-ray spectroscopy (EDX). The XRD result confirmed the presence of a monoclinic CuO (Tenorite), and a hexagonal ZnO (Zincite) nanoparticles phase, which were both confirmed in the CuO–ZnO composite. The electron microscopy of the CuO–ZnO, CuO, and ZnO NPs showed a mixture of nano-scale sizes and spherical/short-rod morphologies, with some agglomeration. In the constituent’s analysis (EDX), no unwanted peak was found, which showed the absence of impurities. Antioxidant properties of the nanoparticles was studied, which confirmed that CuO–ZnO nanocomposite exhibited better scavenging potential than the individual metal oxide nanoparticles (CuO, and ZnO), and ascorbic acid with respect to their minimum inhibitory concentration (IC50) values. Similarly, the in vitro anticancer studies using MCF7 breast cancer cell lines indicated a concentration-dependent profile with the CuO–ZnO nanocomposite having the best activity over the respective metal oxides, but slightly lower than the standard 5-Fluorouracil drug.
Enzymatic Conversion of Different Qualities of Refined Softwood Hemicellulose Recovered from Spent Sulfite Liquor
Authors: Bhattacharya Abhishek , Butler Samuel , Al-Rudainy Basel , Wallberg Ola , Stålbrand Henrik
Published: May 2022

Spent sulfite liquor (SSL) from softwood processing is rich in hemicellulose (acetyl galactoglucomannan, AcGGM), lignin, and lignin-derived compounds. We investigated the effect of sequential AcGGM purification on the enzymatic bioconversion of AcGGM. SSL was processed through three consecutive purification steps (membrane filtration, precipitation, and adsorption) to obtain AcGGM with increasing purity. Significant reduction (~99%) in lignin content and modest loss (~18%) of polysaccharides was observed during purification from the least pure preparation (UFR), obtained by membrane filtration, compared to the purest preparation (AD), obtained by adsorption. AcGGM (~14.5 kDa) was the major polysaccharide in the preparations; its enzymatic hydrolysis was assessed by reducing sugar and high-performance anion-exchange chromatography analysis. The hydrolysis of the UFR preparation with Viscozyme L or Trichoderma reesei β-mannanase TrMan5A (1 mg/mL) resulted in less than ~50% bioconversion of AcGGM. The AcGGM in the AD preparation was hydrolyzed to a higher degree (~67% with TrMan5A and 80% with Viscozyme L) and showed the highest conversion rate. This indicates that SSL contains enzyme-inhibitory compounds (e.g., lignin and lignin-derived compounds such as lignosulfonates) which were successfully removed.
Synthesis and Antioxidant Activity of Silver Nanoparticles Using the Odontonema strictum Leaf Extract
Authors: Luhata Lokadi Pierre , Chick Christian Nanga , Mori Natsuki , Tanaka Kunihito , Uchida Hiroshi , Hayashita Takashi , Usuki Toyonobu
Published: May 2022

The aqueous extract of the leaves of Odontonema strictum (OSM) is used in folk medicine for its antihypertensive properties, and it contains a wide range of secondary metabolites, mostly polyphenols such as verbascoside and isoverbascoside, which could play a major role in the preparation of silver nanoparticles. In this study, we aimed to prepare AgNPs for the first time using the OSM leaf extract (OSM-AgNPs) to investigate their free radical-scavenging potency against 1,1-diphenyl-2-picrylhydrazyl (DPPH) and hydrogen peroxide (H2O2). Dynamic light scattering (DLS), UV/Vis, Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), and X-ray photoelectron spectroscopy (XPS) were used to characterize the OSM-AgNPs. With a size around 100 nm and a ζ-potential of −41.1 mV, OSM-AgNPs showed a good stability and a better colloidal property due to electrostatic repulsion and the dispersity. The strong absorption peak at 3 keV in the EDX spectra indicated that silver was the major constituent. Additionally, the existence of silver atoms was confirmed by the Ag 3d5/2 peak around 367 eV in the XPS spectra. IC50 values of 116 μg/mL and 4.4 μg/mL were obtained for the scavenging activities of DPPH and H2O2, respectively. The synthetic OSM-AgNPs can be further exploited as potential antioxidant agents.
Enhanced Photocatalytic Activity of Nonuniformly Nitrogen-Doped Nb2O5 by Prolonging the Lifetime of Photogenerated Holes
Authors: Guo Wei , Bo Chang , Li Wenjing , Feng Zhiying , Cong Erli , Yang Lijuan , Yang Libin
Published: May 2022

The narrow band gap and significant separation of photogenerated carriers are essential aspects in practical photocatalytic applications. Nitrogen doping usually narrows the band gap of semiconductor oxides, and it enhances photocatalytic activity. Nitrogen-doped Nb2O5 was prepared by a multiple hydrothermal method. The non-metal element N inside the nanostructure, working as the trapping sites for the holes, which were effectively incorporated into the crystal lattice of Nb2O5 semiconductor oxide, remarkably shorten the band gap (3.1 eV) to enhance the visible light response, effectively reducing the photoinduced electron–hole pair recombination and prolonging carrier lifetime. The multilayer coating structure with a gradient concentration distribution and the type of nitrogen doped is favorable for the migration of photoexcited carriers in the bulk of catalysts. The unique multi-layer coating with the micro-concentration gradient of doped nitrogen provides a fast separation channel and jump steps for the separation of electron–hole pairs.
Zinc-Containing Sol–Gel Glass Nanoparticles to Deliver Therapeutic Ions
Authors: Thanasrisuebwong Prakan , Jones Julian R. , Eiamboonsert Salita , Ruangsawasdi Nisarat , Jirajariyavej Bundhit , Naruphontjirakul Parichart
Published: May 2022

Zn-containing dense monodispersed bioactive glass nanoparticles (Zn-BAGNPs) have been developed to deliver therapeutic inorganic trace elements, including Si, Ca, Sr, and Zn, to the cells through the degradation process, as delivery carriers for stimulating bone regeneration because of their capacity to induce osteogenic differentiation. The sol–gel-derived dense silica nanoparticles (SiO2-NPs) were first synthesized using the modified Stöber method, prior to incorporating therapeutic cations through the heat treatment process. The successfully synthesized monodispersed Zn-BAGNPs (diameter of 130 ± 20 nm) were homogeneous in size with spherical morphology. Ca, Sr and Zn were incorporated through the two-step post-functionalization process, with the nominal ZnO ratio between 0 and 2 (0, 0.5, 1.0, 1.5 and 2.0). Zn-BAGNPs have the capacity for continuous degradation and simultaneous ion release in SBF and PBS solutions due to their amorphous structure. Zn-BAGNPs have no in vitro cytotoxicity on the murine pre-osteoblast cell (MC3T3-E1) and periodontal ligament stem cells (PDLSCs), up to a concentration of 250 µg/mL. Zn-BAGNPs also stimulated osteogenic differentiation on PDLSCs treated with particles, after 2 and 3 weeks in culture. Zn-BAGNPs were not toxic to the cells and have the potential to stimulate osteogenic differentiation on PDLSCs. Therefore, Zn-BAGNPs are potential vehicles for therapeutic cation delivery for applications in bone and dental regenerations.
Fluorinated PEG-PEI Coated Magnetic Nanoparticles for siRNA Delivery and CXCR4 Knockdown
Authors: Cao Yixiang , Zhang Shiyin , Ma Ming , Zhang Yu
Published: May 2022

CXC chemokine receptor 4 (CXCR4) is a promising therapeutic target. Previous studies have shown that intracellular delivery of siRNA to knockdown CXCR4 expression in cancer cells is an effective therapeutic strategy. To prepare efficient magnetic nucleic acid carriers, it is now necessary to improve the endocytosis efficiency of PEGylated magnetic nanoparticles. In our work, Heptafluorobutyryl-polyethylene glycol-polyethyleneimine (FPP) was first prepared and then used to coat magnetic nanoparticles (MNPs) to obtain magnetic nanocarriers FPP@MNPs. The materials were characterized by 19 F-Nuclear Magnetic Resonance (NMR), transmission electron microscope (TEM), energy dispersive spectroscopy (EDS), and dynamic light scattering (DLS). The biosecurity of FPP@MNPs was confirmed by cell viability and apoptosis experiments. Cellular uptake of FPP@MNPs and siRNA transfection enhanced by external magnetic fields were detected by fluorescence microscopy, confocal laser microscopy, and flow cytometry. The results show that the cellular uptake efficiency of FPP@MNPs was significantly improved, and transfection efficiency reached more than 90%. The knockdown of CXCR4 on the 4 T1 cell membrane was confirmed by real-time polymerase chain reaction (RT-PCR) and flow cytometry. In conclusion, the fluorinated cationic polymer-coated magnetic nanoparticles FPP@MNPs can be loaded with siRNA to reduce CXCR4 expression as well as be expected to be efficient universal siRNA carriers.
High Color Purity Plasmonic Color Filter by One-Dimensional Photonic Crystals
Authors: Kim Jun Yong , Cho Hyo Jong , Do Yun Seon
Published: May 2022

Structural colors have been reported instead of conventional dye- or pigment-based color filters. Color selectivity can degrade as structure-based optical resonances are accompanied by several resonance modes. In this work, we suggest a simple and effective design of the plasmonic color filter (PCF) that integrated the PCF with the one-dimensional (1D) photonic crystal (PhC). The introduced PhC creates an optical band gap and suppresses undesired peaks of the PCF caused by the high-order resonance mode. Finally, the suggested structure provides a high color purity. This study can be a guideline for technology that replaces conventional color filters.
Constructing Co3O4/La2Ti2O7 p-n Heterojunction for the Enhancement of Photocatalytic Hydrogen Evolution
Authors: Wen Haodong , Zhao Wenning , Han Xiuxun
Published: May 2022

Layered perovskite-type semiconductor La2Ti2O7 has attracted lots of attention in photocatalytic hydrogen evolution, due to the suitable energy band position for water splitting, high specific surface area, and excellent physicochemical stability. However, the narrow light absorption range and the low separation efficiency of photogenerated carriers limit its photocatalytic activity. Herein, plate-like La2Ti2O7 with uniform crystal morphology was synthesized in molten NaCl salt. A p-n heterojunction was then constructed through the in situ hydrothermal growth of p-type Co3O4 nanoparticles on the surface of n-type plate-like La2Ti2O7. The effects of Co3O4 loading on photocatalytic hydrogen evolution performance were investigated in detail. The results demonstrate that composite Co3O4/La2Ti2O7 possesses much better photocatalytic activity than the pure component. The composite photocatalyst with 1 wt% Co3O4 exhibits the highest hydrogen evolution rate of 79.73 μmol·g−1·h−1 and a good cycling stability. The photoelectrochemistry characterizations illustrate that the improvement of photocatalytic activity is mainly attributed to both the enhanced light absorption from the Co3O4 ornament and the rapid separation of photogenerated electron-hole pairs driven by the built-in electric field close to the p-n heterojunction. The results may provide further insights into the design of high-efficiency La2Ti2O7-based heterojunctions for photocatalytic hydrogen evolution.
Selective Chemical Vapor Deposition Growth of WS2/MoS2 Vertical and Lateral Heterostructures on Gold Foils
Authors: Wang Zixuan , Xu Wenshuo , Li Benxuan , Hao Qiaoyan , Wu Di , Qi Dianyu , Gan Haibo , Xie Junpeng , Hong Guo , Zhang Wenjing
Published: May 2022

Vertical and lateral heterostructures consisting of atomically layered two-dimensional (2D) materials exhibit intriguing properties, such as efficient charge/energy transfer, high photoresponsivity, and enhanced photocatalytic activities. However, the controlled fabrication of vertical or lateral heterojunctions on metal substrates remains challenging. Herein, we report a facile and controllable method for selective growth of WS2/MoS2 vertical or lateral heterojunctions on polycrystalline gold (Au) foil by tuning the gas flow rate of hydrogen (H2). We find that lateral growth is favored without H2, whereas vertical growth mode can be switched on by introducing 8–10 sccm H2. In addition, the areal coverage of the WS2/MoS2 vertical heterostructures is tunable in the range of 12–25%. Transmission electron microscopy (TEM) and selected area electron diffraction (SAED) results demonstrate the quality and absence of cross-contamination of the as-grown heterostructures. Furthermore, we investigate the effects of the H2 flow rate on the morphology of the heterostructures. These pave the way to develop unprecedented 2D heterostructures towards applications in (opto)electronic devices.
Room Temperature Engineering Crystal Facet of Cu2O for Photocatalytic Degradation of Methyl Orange
Authors: Li Jiwen , He Meizi , Yan Jiankun , Liu Jiahui , Zhang Jiaxin , Ma Jingjun
Published: May 2022

Cuprous oxide (Cu2O) has received enormous interest for photocatalysis owing to its narrow band gap of 2.17 eV, which is beneficial for visible-light absorption. In this work, we succeeded in synthesizing Cu2O nanocrystals with two morphologies, cube and sphere, at room temperature via a simple wet-chemistry strategy. The morphologies of Cu2O change from cube to sphere when adding PVP from 0 g to 4 g and the mainly exposed crystal faces of cubic and spherical Cu2O are (100) and (111), respectively. The photocatalytic properties of the as-prepared Cu2O were evaluated by the photocatalytic degradation of methyl orange (MO). Cubic Cu2O(100) showed excellent photocatalytic activity. After the optical and photoelectric properties were investigated, we found that cubic Cu2O(100) has better photoelectric separation efficiency than spherical Cu2O(111). Finally, the possible mechanism was proposed for cubic Cu2O(100) degrading MO under visible light.
Mass and Heat Transport Assessment and Nanomaterial Liquid Flowing on a Rotating Cone: A Numerical Computing Approach
Authors: Haider Qusain , Hussain Azad , Rehman Aysha , Ashour Ahmed , Althobaiti Ali
Published: May 2022

In the present study, we explore the time-dependent convectional flow of a rheological nanofluid over a turning cone with the consolidated impacts of warmth and mass exchange. It has been shown that if the angular velocity at the free stream and the cone’s angular velocity differ inversely as a linear time function, a self-similar solution can be obtained. By applying sufficient approximation to the boundary layer, the managed conditions of movement, temperature, and nanoparticles are improved; afterward, the framework is changed to a non-dimensional framework utilizing proper comparability changes. A numerical solution for the obtained system of governing equations is achieved. The effect of different parameters on the velocity, temperature, and concentration profiles are discussed. Tangential velocity is observed to decrease with an increase in the Deborah number, whereas tangential velocity increases with increasing values of the angular velocity ratio, relaxation to the retardation time ratio, and buoyancy parameter. Expansion in the Prandtl number is noted to decrease the boundary layer temperature and thickness. The temperature is seen to decrease with an expansion in the parameters of lightness, thermophoresis parameter, and Brownian movement. It is discovered that the Nusselt number expands by expanding the lightness parameter and Prandtl number, whereas it increases by decreasing the Deborah number. We also noticed that the Sherwood number falls incrementally in Deborah and Prandtl numbers, but it upsurges with an increase in the buoyancy parameter.
Plasmonic-Induced Transparencies in an Integrated Metaphotonic System
Authors: López-Rayón Fernando , Arroyo Carrasco Maximino L. , Rodríguez-Beltrán René I. , Salas-Montiel Rafael , Téllez-Limón Ricardo
Published: May 2022

In this contribution, we numerically demonstrate the generation of plasmonic transparency windows in the transmission spectrum of an integrated metaphotonic device. The hybrid photonic–plasmonic structure consists of two rectangular-shaped gold nanoparticles fully embedded in the core of a multimode dielectric optical waveguide, with their major axis aligned to the electric field lines of transverse electric guided modes. We show that these transparencies arise from different phenomena depending on the symmetry of the guided modes. For the TE0 mode, the quadrupolar and dipolar plasmonic resonances of the nanoparticles are weakly coupled, and the transparency window is due to the plasmonic analogue of electromagnetically induced transparency. For the TE1 mode, the quadrupolar and dipolar resonances of the nanoparticles are strongly coupled, and the transparency is originated from the classical analogue of the Autler–Townes effect. This analysis contributes to the understanding of plasmonic transparency windows, opening new perspectives in the design of on-chip devices for optical communications, sensing, and signal filtering applications.
Structural Assessment of Interfaces in Projected Phase-Change Memory
Authors: Bragaglia Valeria , Jonnalagadda Vara Prasad , Sousa Marilyne , Sarwat Syed Ghazi , Kersting Benedikt , Sebastian Abu
Published: May 2022

Non-volatile memories based on phase-change materials have gained ground for applications in analog in-memory computing. Nonetheless, non-idealities inherent to the material result in device resistance variations that impair the achievable numerical precision. Projected-type phase-change memory devices reduce these non-idealities. In a projected phase-change memory, the phase-change storage mechanism is decoupled from the information retrieval process by using projection of the phase-change material’s phase configuration onto a projection liner. It has been suggested that the interface resistance between the phase-change material and the projection liner is an important parameter that dictates the efficacy of the projection. In this work, we establish a metrology framework to assess and understand the relevant structural properties of the interfaces in thin films contained in projected memory devices. Using X-ray reflectivity, X-ray diffraction and transmission electron microscopy, we investigate the quality of the interfaces and the layers’ properties. Using demonstrator examples of Sb and Sb2Te3 phase-change materials, new deposition routes as well as stack designs are proposed to enhance the phase-change material to a projection-liner interface and the robustness of material stacks in the devices.
Does Dementia Have a Microbial Cause?
Authors: Landry Remi L. , Embers Monica E.
Published: May 2022

The potential contribution of pathogenic microbes to dementia-inducing disease is a subject of considerable importance. Alzheimer’s disease (AD) is a neurocognitive disease that slowly destroys brain function, leading to cognitive decline and behavioral and psychiatric disorders. The histopathology of AD is associated with neuronal loss and progressive synaptic dysfunction, accompanied by the deposition of amyloid-β (Aβ) peptide in the form of parenchymal plaques and abnormal aggregated tau protein in the form of neurofibrillary tangles. Observational, epidemiological, experimental, and pathological studies have generated evidence for the complexity and possible polymicrobial causality in dementia-inducing diseases. The AD pathogen hypothesis states that pathogens and microbes act as triggers, interacting with genetic factors to initiate the accumulation of Aβ, hyperphosphorylated tau protein (p-tau), and inflammation in the brain. Evidence indicates that Borrelia sp., HSV-1, VZV (HHV-2), HHV-6/7, oral pathogens, Chlamydophila pneumoniae, and Candida albicans can infect the central nervous system (CNS), evade the immune system, and consequently prevail in the AD brain. Researchers have made significant progress in understanding the multifactorial and overlapping factors that are thought to take part in the etiopathogenesis of dementia; however, the cause of AD remains unclear.
Scope of Use and Effectiveness of Dietary Interventions for Improving Health-Related Outcomes in Veterans: A Systematic Review
Authors: Mellor Rebecca , Saunders-Dow Elise , Mayr Hannah L.
Published: May 2022

Military veterans often have numerous physical and mental health conditions and can face unique challenges to intervention and management. Dietary interventions can improve the outcomes in many health conditions. This study aimed to evaluate the scope of health conditions targeted with dietary interventions and the effectiveness of these interventions for improving health-related outcomes in veterans. A systematic literature review was performed following PRISMA guidelines to identify and evaluate studies related to veterans and dietary interventions. Five electronic databases were searched, identifying 2669 references. Following screening, 35 studies were evaluated, and 18 were related to a US national veteran weight-loss program. The included studies were critically appraised, and the findings were narratively synthesized. Study designs ranged from randomised controlled trials to cohort studies and were predominantly U.S. based. The intervention durations ranged from one to 24 months. The mean subject age ranged from 39.0 to 69.7 years, with often predominantly male participants, and the mean body mass index ranged from 26.4 to 42.9 kg/m2. Most dietary interventions for veterans were implemented in populations with overweight/obesity or chronic disease and involved single dietary interventions or dietary components of holistic lifestyle interventions. The most common primary outcome of interest was weight loss. The success of dietary interventions was generally moderate, and barriers included poor compliance, mental health conditions and large drop-out rates. The findings from this review illustrate the need for further refinement of dietary and lifestyle interventions for the management of veterans with chronic health conditions.
Hemoglobin Endocytosis and Intracellular Trafficking: A Novel Way of Heme Acquisition by Leishmania
Authors: Ansari Irshad , Basak Rituparna , Mukhopadhyay Amitabha
Published: May 2022

Leishmania species are causative agents of human leishmaniasis, affecting 12 million people annually. Drugs available for leishmaniasis are toxic, and no vaccine is available. Thus, the major thrust is to identify new therapeutic targets. Leishmania is an auxotroph for heme and must acquire heme from the host for its survival. Thus, the major focus has been to understand the heme acquisition process by the parasites in the last few decades. It is conceivable that the parasite is possibly obtaining heme from host hemoprotein, as free heme is not available in the host. Current understanding indicates that Leishmania internalizes hemoglobin (Hb) through a specific receptor by a clathrin-mediated endocytic process and targets it to the parasite lysosomes via the Rab5 and Rab7 regulated endocytic pathway, where it is degraded to generate intracellular heme that is used by the parasite. Subsequently, intra-lysosomal heme is initially transported to the cytosol and is finally delivered to the mitochondria via different heme transporters. Studies using different null mutant parasites showed that these receptors and transporters are essential for the survival of the parasite. Thus, the heme acquisition process in Leishmania may be exploited for the development of novel therapeutics.
Discrimination of Methicillin-resistant Staphylococcus aureus by MALDI-TOF Mass Spectrometry with Machine Learning Techniques in Patients with Staphylococcus aureus Bacteremia
Authors: Kong Po-Hsin , Chiang Cheng-Hsiung , Lin Ting-Chia , Kuo Shu-Chen , Li Chien-Feng , Hsiung Chao A. , Shiue Yow-Ling , Chiou Hung-Yi , Wu Li-Ching , Tsou Hsiao-Hui
Published: May 2022

Early administration of proper antibiotics is considered to improve the clinical outcomes of Staphylococcus aureus bacteremia (SAB), but routine clinical antimicrobial susceptibility testing takes an additional 24 h after species identification. Recent studies elucidated matrix-assisted laser desorption/ionization time-of-flight mass spectra to discriminate methicillin-resistant strains (MRSA) or even incorporated with machine learning (ML) techniques. However, no universally applicable mass peaks were revealed, which means that the discrimination model might need to be established or calibrated by local strains’ data. Here, a clinically feasible workflow was provided. We collected mass spectra from SAB patients over an 8-month duration and preprocessed by binning with reference peaks. Machine learning models were trained and tested by samples independently of the first six months and the following two months, respectively. The ML models were optimized by genetic algorithm (GA). The accuracy, sensitivity, specificity, and AUC of the independent testing of the best model, i.e., SVM, under the optimal parameters were 87%, 75%, 95%, and 87%, respectively. In summary, almost all resistant results were truly resistant, implying that physicians might escalate antibiotics for MRSA 24 h earlier. This report presents an attainable method for clinical laboratories to build an MRSA model and boost the performance using their local data.