bluuebunny/crossref_metadata_2025 huggingface dataset:
Orexin-A Regulates Follicular Growth, Proliferation, Cell Cycle and Apoptosis in Mouse Primary Granulosa Cells via the AKT/ERK Signaling Pathway
Authors: Safdar Muhammad , Liang Aixin , Rajput Shahid Ali , Abbas Nasir , Zubair Muhammad , Shaukat Aftab , Rehman Aziz ur , Jamil Huma , Guo Yan , Ullah Farman , Yang Liguo
Published: September 2021

Granulosa cells (GCs) are essential for follicular growth, development, and atresia. The orexin-A (OXA) neuropeptide is widely involved in the regulation of various biological functions. OXA selectively binds to orexin receptor type 1 (OX1R) and mediates all its biological actions via OX1R. This study aimed to explore the expression of OXA and OX1R and their regulatory role in GCs proliferation, cell cycle progression, apoptosis, oocyte maturation, and underlying molecular mechanisms of these processes and elucidate its novel signaling pathway. Western blotting and RT-qPCR showed that OXA and OX1R were expressed during different developmental stages of GCs, and siRNA transfection successfully inhibited the expression of OX1R at the translational and transcriptional levels. Flow cytometry revealed that OX1R knockdown upregulated GCs apoptosis and triggered S-phase arrest in cell cycle progression. RT-qPCR and Western blotting showed significantly reduced expression of Bcl-2 and elevated expression of Bax, caspase-3, TNF-α, and P21 in OX1R-silenced GCs. Furthermore, the CCK-8 assay showed that knockdown of OX1R suppressed GCs proliferation by downregulating the expression of PCNA, a proliferation marker gene, at the translational and transcriptional levels. Western blotting revealed that knockdown of OX1R resulted in a considerable decrease of the phosphorylation level of the AKT and ERK1/2 proteins, indicating that the AKT/ERK1/2 pathway is involved in regulating GCs proliferation and apoptosis. In addition, OX1R silencing enhanced the mRNA expression of GDF9 and suppressed the mRNA expression of BMP15 in mouse GCs. Collectively, these results reveal a novel regulatory role of OXA in the development of GCs and folliculogenesis by regulating proliferation, apoptosis, and cell cycle progression. Therefore, OXA can be a promising therapeutic agent for female infertility.
Selective Esterification of Phosphonic Acids
Authors: Trzepizur Damian , Brodzka Anna , Koszelewski Dominik , Ostaszewski Ryszard
Published: September 2021

Here, we report straightforward and selective synthetic procedures for mono- and diesterification of phosphonic acids. A series of alkoxy group donors were studied and triethyl orthoacetate was found to be the best reagent as well as a solvent for the performed transformations. An important temperature effect on the reaction course was discovered. Depending on the reaction temperature, mono- or diethyl esters of phosphonic acid were obtained exclusively with decent yields. The substrate scope of the proposed methodology was verified on aromatic as well as aliphatic phosphonic acids. The designed method can be successfully applied for small- and large-scale experiments without significant loss of selectivity or reaction yield. Several devoted experiments were performed to give insight into the reaction mechanism. At 30 °C, monoesters are formed via an intermediate (1,1-diethoxyethyl ester of phosphonic acid). At higher temperatures, similar intermediate forms give diesters or stable and detectable pyrophosphonates which were also consumed to give diesters. 31P NMR spectroscopy was used to assign the structure of pyrophosphonate as well as to monitor the reaction course. No need for additional reagents and good accessibility and straightforward purification are the important aspects of the developed protocols.
Determination of Cyanide in Blood for Forensic Toxicology Purposes—A Novel Nci Gc-Ms/Ms Technique
Authors: Osak Marcin , Buszewicz Grzegorz , Baj Jacek , Teresiński Grzegorz
Published: September 2021

One of the recently evolving methods for cyanide determination in body fluids is GC-MS, following extractive alkylation with pentafluorobenzyl bromide or pentafluorobenzyl p-toluenesulfonate. The aim of this study was to improve previous GC methods by utilizing a triple quadrupole mass spectrometer, which could enhance selectivity and sensitivity allowing for the reliable confirmation of cyanide exposure in toxicological studies. Another purpose of this study was to facilitate a case investigation including a determination of cyanide in blood and to use the obtained data to confirm the ingestion of a substance, found together with a human corpse at the forensic scene. The blood samples were prepared following extractive alkylation with a phase transfer catalyst tetrabutylammonium sulfate and the PFB-Br derivatization agent. Optimal parameters for detection, including ionization type and multiple reaction monitoring (MRM) transitions had been investigated and then selected. The validation parameters for the above method were as follows—linear regression R2 = 0.9997 in the range of 0.1 µg/mL to 10 µg/mL; LOD = 24 ng/mL; LOQ = 80 ng/mL and an average recovery of extraction of 98%. Our study demonstrates the first attempt of cyanide determination in blood with gas chromatography-tandem mass spectrometry. The established method could be applied in forensic studies due to MS/MS confirmation of organic cyanide derivative and low matrix interferences owning to utilizing negative chemical ionization.
Naphthazarin Derivatives in the Light of Intra- and Intermolecular Forces
Authors: Kułacz Karol , Pocheć Michał , Jezierska Aneta , Panek Jarosław J.
Published: September 2021

Our long-term investigations have been devoted the characterization of intramolecular hydrogen bonds in cyclic compounds. Our previous work covers naphthazarin, the parent compound of two systems discussed in the current work: 2,3-dimethylnaphthazarin (1) and 2,3-dimethoxy-6-methylnaphthazarin (2). Intramolecular hydrogen bonds and substituent effects in these compounds were analyzed on the basis of Density Functional Theory (DFT), Møller–Plesset second-order perturbation theory (MP2), Coupled Clusters with Singles and Doubles (CCSD) and Car-Parrinello Molecular Dynamics (CPMD). The simulations were carried out in the gas and crystalline phases. The nuclear quantum effects were incorporated a posteriori using the snapshots taken from ab initio trajectories. Further, they were used to solve a vibrational Schrödinger equation. The proton reaction path was studied using B3LYP, ωB97XD and PBE functionals with a 6-311++G(2d,2p) basis set. Two energy minima (deep and shallow) were found, indicating that the proton transfer phenomena could occur in the electronic ground state. Next, the electronic structure and topology were examined in the molecular and proton transferred (PT) forms. The Atoms In Molecules (AIM) theory was employed for this purpose. It was found that the hydrogen bond is stronger in the proton transferred (PT) forms. In order to estimate the dimers’ stabilization and forces responsible for it, the Symmetry-Adapted Perturbation Theory (SAPT) was applied. The energy decomposition revealed that dispersion is the primary factor stabilizing the dimeric forms and crystal structure of both compounds. The CPMD results showed that the proton transfer phenomena occurred in both studied compounds, as well as in both phases. In the case of compound 2, the proton transfer events are more frequent in the solid state, indicating an influence of the environmental effects on the bridged proton dynamics. Finally, the vibrational signatures were computed for both compounds using the CPMD trajectories. The Fourier transformation of the autocorrelation function of atomic velocity was applied to obtain the power spectra. The IR spectra show very broad absorption regions between 700 cm−1–1700 cm−1 and 2300 cm−1–3400 cm−1 in the gas phase and 600 cm−1–1800 cm−1 and 2200 cm−1–3400 cm−1 in the solid state for compound 1. The absorption regions for compound 2 were found as follows: 700 cm−1–1700 cm−1 and 2300 cm−1–3300 cm−1 for the gas phase and one broad absorption region in the solid state between 700 cm−1 and 3100 cm−1. The obtained spectroscopic features confirmed a strong mobility of the bridged protons. The inclusion of nuclear quantum effects showed a stronger delocalization of the bridged protons.
Sulfonium Ligands of the α7 nAChR
Authors: Horenstein Nicole A. , Stokes Clare , Papke Roger L.
Published: September 2021

The α7 nicotinic acetylcholine receptor (nAChR) is an important target given its role in cognitive function as well as in the cholinergic anti-inflammatory pathway, where ligands that are effective at stabilizing desensitized states of the receptor are of particular interest. The typical structural element associated with a good desensitizer is the ammonium pharmacophore, but recent work has identified that a trivalent sulfur, in the positively charged sulfonium form, can substitute for the nitrogen in the ammonium pharmacophore. However, the breadth and scope of employing the sulfonium group is largely unexplored. In this work, we have surveyed a disparate group of sulfonium compounds for their functional activity with α7 as well as other nAChR subtypes. Amongst them, we found that there is a wide range of ability to induce α7 desensitization, with 4-hydroxyphenyldimethylsulfonium and suplatast sulfonium salts being the most desensitizing. The smallest sulfonium compound, trimethylsulfonium, was a partial agonist for α7 and other neuronal nAChR. Molecular docking into the α7 receptor extracellular domain revealed preferred poses in the orthosteric binding site for all but one compound, with typical cation–pi interactions as seen with traditional ammonium compounds. A number of the compounds tested may serve as useful platforms for further development of α7 desensitizing ability and for receptor subtype selectivity.
Tissue Distribution Study of Poloxamer188 in Rats by Ultra-High-Performance Liquid Chromatography Quadrupole Time of Flight/Mass Spectrometry with MSALL-Based Approach
Authors: Feng Yixuan , Li Lele , Li Yuxuan , Zhou Xinxin , Lin Xiaoying , Cui Yue , Zhu Heyun , Feng Bo
Published: September 2021

Poloxamer188 (PL188), as one of the most commonly used pharmaceutical excipients, has unique physicochemical properties and good biocompatibility, and so is playing an increasingly extensive role in the field of medicine. Currently, there are few studies on the tissue distribution of PL188 in vivo. In this study, the LC-MS method based on MSALL technique of quadrupole time of flight mass spectrometry for absolute quantitative analysis of poloxamer 188 in biological substrates was established for the first time. The tissue distribution of poloxamer188 in SD rats were studied using the established quantitative analysis method. To explore the distribution of PL188 in organs and tissues, PL188 was administered via rat tail vein at a dose of 5 mg/kg. Eight kinds of tissues including heart, liver, spleen, lung, kidney, stomach, muscle and brain of rats were collected at 0.25 h, 1 h and 4 h after administration. Tissue distributions showed the highest level was observed in kidney, then in stomach, which indicated PL188 mainly bioaccumulated in the kidney. This study can provide references for the further study of PL188.
Determination of Commercial Animal and Vegetable Milks’ Lipid Profile and Its Correlation with Cell Viability and Antioxidant Activity on Human Intestinal Caco-2 Cells
Authors: Aresta Antonella , De Santis Stefania , Carocci Alessia , Barbarossa Alexia , Ragusa Andrea , De Vietro Nicoletta , Clodoveo Maria Lisa , Corbo Filomena , Zambonin Carlo
Published: September 2021

Lipids from milk are important nutritional components, although their health effects, especially for animal milks, are still questioned. Four types of commercial milks, two semi-skimmed animal milks (bovine and goat) and two vegetable ones (soy and rice), along with their total and free lipid fractions recovered by sequential centrifugation or by ethyl acetate extraction, respectively, have been analyzed. A higher antioxidant ability, reported as Trolox equivalent antioxidant capacity, was found for all raw milks compared to that of rice. This trend was confirmed, except for soy milk, as ROS reduction in Caco-2 cells. The free lipid fraction was shown to have the highest antioxidant potential in both chemical and biological tests. Moreover, goat and soy raw milks positively regulated Caco-2 cell viability after an inflammatory stimulus. This effect was lost when their total lipid fraction was tested. Finally, only the free lipid fraction from rice milk preserved the Caco-2 viability after LPS stimulation. Our data demonstrated that the lipid profile of each milk, characterized by GC-MS analysis, could contribute to dictate its biological effects, and, although additional in vitro and in vivo studies are needed, they could support the literature re-evaluating the health effects of animal-based versus plant-based milks in the intestinal cellular model.
Effect of pH and Pea Protein: Xanthan Gum Ratio on Emulsions with High Oil Content and High Internal Phase Emulsion Formation
Authors: Vélez-Erazo Eliana Marcela , Bosqui Karina , Rabelo Renata S. , Hubinger Miriam Dupas
Published: September 2021

Electrostatic interaction between protein and polysaccharides could influence structured liquid oil stability when emulsification is used for this purpose. The objective of this work was to structure sunflower oil forming emulsions and High Internal Phase Emulsions (HIPEs) using pea protein (PP) and xanthan gum (XG) as a stabilizer, promoting or not their electrostatic attraction. The 60/40 oil-in-water emulsions were made varying the pH (3, 5, and 7) and PP:XG ratio (4:1, 8:1, and 12:1). To form HIPEs, samples were oven-dried and homogenized. The higher the pH, the smaller the droplet size (Emulsions: 15.60–43.96 µm and HIPEs: 8.74–20.38 µm) and the oil release after 9 weeks of storage at 5 °C and 25 °C (oil loss < 8%). All systems had weak gel-like behavior, however, the values of viscoelastic properties (G′ and G″) increased with the increment of PP:XG ratio. Stable emulsions were obtained at pHs 5 and 7 in all PP:XG ratios, and at pH 3 in the ratio 4:1. Stable HIPEs were obtained at pH 7 in the ratios PP:XG 4:1, 8:1, and 12:1, and at pH 5 at PP:XG ratio 4:1. All these systems presented different characteristics that could be exploited for their application as fat substitutes.
Markov State Models and Molecular Dynamics Simulations Provide Understanding of the Nucleotide-Dependent Dimerization-Based Activation of LRRK2 ROC Domain
Authors: Li Xinyi , Qi Zengxin , Ni Duan , Lu Shaoyong , Chen Liang , Chen Xiangyu
Published: September 2021

Mutations in leucine-rich repeat kinase 2 (LRRK2) are recognized as the most frequent cause of Parkinson’s disease (PD). As a multidomain ROCO protein, LRRK2 is characterized by the presence of both a Ras-of-complex (ROC) GTPase domain and a kinase domain connected through the C-terminal of an ROC domain (COR). The bienzymatic ROC–COR–kinase catalytic triad indicated the potential role of GTPase domain in regulating kinase activity. However, as a functional GTPase, the detailed intrinsic regulation of the ROC activation cycle remains poorly understood. Here, combining extensive molecular dynamics simulations and Markov state models, we disclosed the dynamic structural rearrangement of ROC’s homodimer during nucleotide turnover. Our study revealed the coupling between dimerization extent and nucleotide-binding state, indicating a nucleotide-dependent dimerization-based activation scheme adopted by ROC GTPase. Furthermore, inspired by the well-known R1441C/G/H PD-relevant mutations within the ROC domain, we illuminated the potential allosteric molecular mechanism for its pathogenetic effects through enabling faster interconversion between inactive and active states, thus trapping ROC in a prolonged activated state, while the implicated allostery could provide further guidance for identification of regulatory allosteric pockets on the ROC complex. Our investigations illuminated the thermodynamics and kinetics of ROC homodimer during nucleotide-dependent activation for the first time and provided guidance for further exploiting ROC as therapeutic targets for controlling LRRK2 functionality in PD treatment.
Ezrin Modulates the Cell Surface Expression of Programmed Cell Death Ligand-1 in Human Cervical Adenocarcinoma Cells
Authors: Tanaka Chihiro , Kobori Takuro , Tameishi Mayuka , Urashima Yoko , Ito Takuya , Obata Tokio
Published: September 2021

Cancer cells employ programmed cell death ligand-1 (PD-L1), an immune checkpoint protein that binds to programmed cell death-1 (PD-1) and is highly expressed in various cancers, including cervical carcinoma, to abolish T-cell-mediated immunosurveillance. Despite a key role of PD-L1 in various cancer cell types, the regulatory mechanism for PD-L1 expression is largely unknown. Understanding this mechanism could provide a novel strategy for cervical cancer therapy. Here, we investigated the influence of ezrin/radixin/moesin (ERM) family scaffold proteins, crosslinking the actin cytoskeleton and certain plasma membrane proteins, on the expression of PD-L1 in HeLa cells. Our results showed that all proteins were expressed at mRNA and protein levels and that all ERM proteins were highly colocalized with PD-L1 in the plasma membrane. Interestingly, immunoprecipitation assay results demonstrated that PD-L1 interacted with ERM as well as actin cytoskeleton proteins. Furthermore, gene silencing of ezrin, but not radixin and moesin, remarkably decreased the protein expression of PD-L1 without affecting its mRNA expression. In conclusion, ezrin may function as a scaffold protein for PD-L1; regulate PD-L1 protein expression, possibly via post-translational modification in HeLa cells; and serve as a potential therapeutic target for cervical cancer, improving the current immune checkpoint blockade therapy.
Design, Synthesis and Biological Evaluation of Novel Thienylpyridyl- and Thioether-Containing Acetamides and Their Derivatives as Pesticidal Agents
Authors: Li Huan , Yang Na , Xiong Lixia , Wang Baolei
Published: September 2021

Referring to the structural information of the “hit” compound A from the reported pharmacophore-based virtual screening, a series of novel thienylpyridyl- and thioether/sulfoxide/sulfone-containing acetamide derivatives have been designed and synthesized. The structures of new compounds were confirmed by 1H NMR, 13C NMR and HRMS. The single-crystal structure of A was firstly reported. All the new synthesized compounds were evaluated for insecticidal activities on Mythimna separata Walker and Plutella xylostella L. Through a step-by-step structural optimization, the high insecticidal agents, especially towards Plutella xylostella L., have been found, and thienylpyridyl- and sulfone/thioether-containing acetamides Iq, Io, Ib and A, which are comparable with the control insecticides cartap, triflumuron and chlorantraniliprole in the present study, can be used as novel lead structures for new insecticides innovation research. In addition, some of the compounds, e.g., A, Ih, Id, Io and Iq, also exhibited favourable fungicidal activities against Physalospora piricola, Rhizoctonia cerealis and Sclerotinia sclerotiorum and would provide useful guidance for the design and development of new fungicides.
The Art of Framework Construction: Core–Shell Structured Micro-Energetic Materials
Authors: Duan Binghui , Li Jiankang , Mo Hongchang , Lu Xianming , Xu Minghui , Wang Bozhou , Liu Ning
Published: September 2021

Weak interfacial interactions remain a bottleneck for composite materials due to their weakened performance and restricted applications. The development of core–shell engineering shed light on the preparation of compact and intact composites with improved interfacial interactions. This review addresses how core–shell engineering has been applied to energetic materials, with emphasis upon how micro-energetic materials, the most widely used particles in the military field, can be generated in a rational way. The preparation methods of core–shell structured explosives (CSEs) developed in the past few decades are summarized herein. Case studies on polymer-, explosive- and novel materials-based CSEs are presented in terms of their compositions and physical properties (e.g., thermal stability, mechanical properties and sensitivity). The mechanisms behind the dramatic and divergent properties of CSEs are also clarified. A glimpse of the future in this area is given to show the potential for CSEs and some suggestions regarding the future research directions are proposed.
Anti-Inflammatory Effect of Charantadiol A, Isolated from Wild Bitter Melon Leaf, on Heat-Inactivated Porphyromonas gingivalis-Stimulated THP-1 Monocytes and a Periodontitis Mouse Model
Authors: Tsai Tzung-Hsun , Chang Chi-I , Hung Ya-Ling , Huang Wen-Cheng , Chang Hsiang , Kuo Yueh-Hsiung , Chyuan Jong-Ho , Chuang Lu-Te , Tsai Po-Jung
Published: September 2021

Porphyromonas gingivalis has been identified as one of the major periodontal pathogens. Activity-directed fractionation and purification processes were employed to identify bioactive compounds from bitter melon leaf. Ethanolic extract of bitter melon leaf was separated into five subfractions by open column chromatography. Subfraction-5-3 significantly inhibited P. gingivalis-induced interleukin (IL)-8 and IL-6 productions in human monocytic THP-1 cells and then was subjected to separation and purification by using different chromatographic methods. Consequently, 5β,19-epoxycucurbita-6,23(E),25(26)-triene-3β,19(R)-diol (charantadiol A) was identified and isolated from the subfraction-5-3. Charantadiol A effectively reduced P. gingivalis-induced IL-6 and IL-8 productions and triggered receptors expressed on myeloid cells (TREM)-1 mRNA level of THP-1 cells. In a separate study, charantadiol A significantly suppressed P. gingivalis-stimulated IL-6 and tumor necrosis factor-α mRNA levels in gingival tissues of mice, confirming the inhibitory effect against P. gingivalis-induced periodontal inflammation. Thus, charantadiol A is a potential anti-inflammatory agent for modulating P. gingivalis-induced inflammation.
The Mitochondria-Independent Cytotoxic Effect of Leflunomide on RPMI-8226 Multiple Myeloma Cell Line
Authors: Adamczuk Grzegorz , Humeniuk Ewelina , Iwan Magdalena , Natorska-Chomicka Dorota , Adamczuk Kamila , Korga-Plewko Agnieszka
Published: September 2021

Leflunomide, an anti-inflammatory agent, has been shown to be effective in multiple myeloma (MM) treatment; however, the mechanism of this phenomenon has not been fully elucidated. The aim of the study was to assess the role of mitochondria and dihydroorotate dehydrogenase (DHODH) inhibition in the cytotoxicity of leflunomide in relation to the MM cell line RPMI 8226. The cytotoxic effect of teriflunomide—an active metabolite of leflunomide—was determined using MTT assay, apoptosis detection, and cell cycle analysis. To evaluate DHODH-dependent toxicity, the cultures treated with teriflunomide were supplemented with uridine. Additionally, the level of cellular thiols as oxidative stress symptom was measured as well as mitochondrial membrane potential and protein tyrosine kinases (PTK) activity. The localization of the compound in cell compartments was examined using HPLC method. Teriflunomide cytotoxicity was not abolished in uridine presence. Observed apoptosis occurred in a mitochondria-independent manner, there was also no decrease in cellular thiols level. Teriflunomide arrested cell cycle in the G2/M phase which is not typical for DHODH deficiency. PTK activity was decreased only at the highest drug concentration. Interestingly, teriflunomide was not detected in the mitochondria. The aforementioned results indicate DHODH- and mitochondria-independent mechanism of leflunomide toxicity against RPMI 8226 cell line.
Influence of the Use of an Ionic Liquid as Pre-Hydrodistillation Maceration Medium on the Composition and Yield of Cannabis sativa L. Essential Oil
Authors: Mezzetta Andrea , Ascrizzi Roberta , Martinelli Marco , Pelosi Filomena , Chiappe Cinzia , Guazzelli Lorenzo , Flamini Guido
Published: September 2021

Cannabis sativa L. is a multi-purpose crop, whose resilience, adaptability and soil-enriching properties make it a low-impact production. In the last years, the cultivation of the “industrial” hemp varieties (THC < 0.2%) has been promoted by many Countries, opening a whole new market of hemp-derived products, such as its essential oil (EO). Its distillation might represent an effective method to exploit a residue of the hemp fiber production (flowers), complying with the guidelines of the circular economy. In the present work, different concentrations of an ionic liquid (IL; 1,3-dimethyl-1H-imidazol-3-ium dimethylphosphate) have been studied as a pre-hydrodistillation maceration medium. The EO yields have been evaluated, and their compositions have been analyzed by GC-EIMS. The use of 100% and 90% IL concentrations gave a hydrodistillation yield increment of 250% and 200%, respectively. The 200% yield increase was maintained when the 100% IL was recycled after the hydrodistillation. The lower IL concentrations incremented the cannabinoid and oxygenated sesquiterpene contents, while the opposite was true for sesquiterpene hydrocarbons. The proposed IL-enhanced hydrodistillation medium applied to hemp, studied for the first time in the present work, might be used to both (i) noteworthy increment the hydrodistillation yield and (ii) modulate the obtained EO composition based on the desired final product.
Oclacitinib, a Janus Kinase Inhibitor, Reduces the Frequency of IL-4- and IL-10-, but Not IFN-γ-, Producing Murine CD4+ and CD8+ T Cells and Counteracts the Induction of Type 1 Regulatory T Cells
Authors: Jasiecka-Mikołajczyk Agnieszka , Jaroszewski Jerzy J. , Maślanka Tomasz
Published: September 2021

The purpose of the present study was to broaden the knowledge and understanding of the effects of oclacitinib (OCL), a Janus kinase inhibitor, on T cells in the context of both the immune mechanisms underlying anti-inflammatory and anti-allergic properties of the drug and its safety. The results indicate that beneficial effects of OCL in the treatment of skin allergic diseases may be partially mediated by the inhibition of IL-4 production in CD4+ and CD8+ T cells. To a certain extent, the antiproliferative effect of OCL on CD8+ T cells may also contribute to its therapeutic effect. The study found that OCL does not affect the proliferation of CD4+ T cells or the number of IFN-γ- and IL-17-producing CD4+ and CD8+ T cells. Moreover, OCL was found to counteract the induction of type 1 regulatory T (Tr1) cells and to act as a strong inhibitor of IL-10 production in both CD4+ and CD8+ T cells. Thus, these results indicate that beneficial effects of OCL in the treatment of skin allergic diseases are not mediated through: (a) the abolishment of IFN-γ and IL-17-production in CD4+ and CD8+ T cells; (b) generation of Tr1 cells; (c) inhibition of CD4+ T cell proliferation; (d) induction of IL-10 production in CD4+ T cells. The results of this study strongly suggest that, with respect to the evaluated parameters, OCL exerts a suppressive effect on Th2- but not Th1-mediated immunity.
Effects of Precursors and Carbon Nanotubes on Electrochemical Properties of Electrospun Nickel Oxide Nanofibers-Based Supercapacitors
Authors: Aihemaitituoheti Reziwanguli , Alhebshi Nuha , Abdullah Turdimuhammad
Published: September 2021

Supercapacitors have been considered as one of the main energy storage devices. Recently, electrospun nanofibers have served as promising supercapacitor electrodes because of their high surface area, high porosity, flexibility, and resistance to aggregation. Here, we investigate the effects of electrospinning parameters and nickel precursors on the nanostructure of electrospun nickel oxide (NiO), as well as on their electrochemical performance as supercapacitor electrodes. In contrast to the case of using nickel nitrate, increasing the nickel acetate molar concentration maintains the flexible fibrous sheet morphology of the as-spun sample during the polycondensation and calcination of NiO. As a result, our flexible electrode of NiO nanofibers derived from nickel acetate (NiO-A) exhibits much better electrochemical performance values than that of nickel nitrate-derived NiO. To further improve the electrochemical storage performance, we combined NiO-A nanofibers with single-walled carbon nanotubes (CNTs) as a hybrid electrode. In both half-cell and full-cell configurations, the hybrid electrode displayed a higher and steadier areal capacitance than the NiO-A nanofibers because of the synergetic effect between the NiO-A nanofibers and CNTs. Altogether, this work demonstrates the potency of the hybrid electrodes combined with the electrospun NiO-A nanofibers and CNTs for supercapacitor applications.
Cholecystokinin and Panic Disorder: Reflections on the History and Some Unsolved Questions
Authors: Rehfeld Jens F.
Published: September 2021

The classic gut hormone cholecystokinin (CCK) and its CCK2-receptor are expressed in almost all regions of the brain. This widespread expression makes CCK by far the most abundant peptidergic transmitter system in the brain. This CNS-ubiquity has, however, complicated the delineation of the roles of CCK peptides in normal brain functions and neuropsychiatric diseases. Nevertheless, the common panic disorder disease is apparently associated with CCK in the brain. Thus, the C-terminal tetrapeptide fragment of CCK (CCK-4) induces, by intravenous administration in a dose-related manner, panic attacks that are similar to the endogenous attacks in panic disorder patients. This review describes the history behind the discovery of the panicogenic effect of CCK-4. Subsequently, the review discusses three unsettled questions about the involvement of cerebral CCK in the pathogenesis of anxiety and panic disorder, including therapeutic attempts with CCK2-receptor antagonists.
Bacterial Diversity Correlates with Overall Survival in Cancers of the Head and Neck, Liver, and Stomach
Authors: Rodriguez Rebecca M. , Menor Mark , Hernandez Brenda Y. , Deng Youping , Khadka Vedbar S.
Published: September 2021

One in five cancers is attributed to infectious agents, and the extent of the impact on the initiation, progression, and disease outcomes may be underestimated. Infection-associated cancers are commonly attributed to viral, and to a lesser extent, parasitic and bacterial etiologies. There is growing evidence that microbial community variation rather than a single agent can influence cancer development, progression, response to therapy, and outcome. We evaluated microbial sequences from a subset of infection-associated cancers—namely, head and neck squamous cell carcinoma (HNSC), liver hepatocellular carcinoma (LIHC), and stomach adenocarcinoma (STAD) from The Cancer Genome Atlas (TCGA). A total of 470 paired tumor and adjacent normal samples were analyzed. In STAD, concurrent presence of EBV and Selemonas sputigena with a high diversity index were associated with poorer survival (HR: 2.23, 95% CI 1.26–3.94, p = 0.006 and HR: 2.31, 95% CI 1.1–4.9, p = 0.03, respectively). In LIHC, lower microbial diversity was associated with poorer overall survival (HR: 2.57, 95% CI: 1.2, 5.5, p = 0.14). Bacterial within-sample diversity correlates with overall survival in infection-associated cancers in a subset of TCGA cohorts.
Adsorption of Mussel Protein on Polymer Antifouling Membranes: A Molecular Dynamics Study
Authors: Gao Fengfeng
Published: September 2021

Biofouling is one of the most difficult problems in the field of marine engineering. In this work, molecular dynamics simulation was used to study the adsorption process of mussel protein on the surface of two antifouling films—hydrophilic film and hydrophobic film—trying to reveal the mechanism of protein adsorption and the antifouling mechanism of materials at the molecular level. The simulated conclusion is helpful to design and find new antifouling coatings for the experiments in the future.
Local Oral Delivery Agents with Anti-Biofilm Properties for the Treatment of Periodontitis and Peri-Implantitis. A Narrative Review
Authors: Elnagdy Shorouk , Raptopoulos Michail , Kormas Ioannis , Pedercini Alessandro , Wolff Larry F.
Published: September 2021

Despite many discoveries over the past 20 years regarding the etiopathogenesis of periodontal and peri-implant diseases, as well as significant advances in our understanding of microbial biofilms, the incidence of these pathologies continues to rise. For this reason, it was clear that other strategies were needed to eliminate biofilms. In this review, the literature database was searched for studies on locally delivered synthetic agents that exhibit anti-biofilm properties and their potential use in the treatment of two important oral diseases: periodontitis and peri-implantitis.
Jasminum sambac: A Potential Candidate for Drug Development to Cure Cardiovascular Ailments
Authors: Khan Imran Ahmad , Hussain Musaddique , Munawar Shaukat Hussain , Iqbal Muhammad Omer , Arshad Shafia , Manzoor Ashira , Shah Mazhar Abbas , Abbas Khizar , Shakeel Waleed , Syed Shahzada Khurram
Published: September 2021

Jasminum sambac (L.) is a South Asian folkloric medicinal plant that has traditionally been used to treat cardiovascular problems. The current investigation was meticulously organized to explore the pharmacological foundation for the medicinal uses of J. sambac pertaining to cardiovascular ailments and to investigate the core mechanisms. Mechanistic investigation revealed that crude leaf extract of J. sambac produced ex-vivo vasorelaxant effects in endotheliumintact aorta ring preparation and hypotensive effect was recorded via pressure and force transducers coupled to the Power Lab Data Acquisition System. Moreover; J. sambac showed cardioprotective effects against adrenaline -induced left ventricular hypertrophy in rabbits observed hemodynamic. CK-MB, LDH, troponin, CRP, ALT, AST, ALP levels were shown to be lower in the myocardial infarction model, as were necrosis, oedema, and inflammatory cell recruitment in comparison to control. J. sambac has shown good antioxidant potential as well as prolonged the noradrenaline induced platelet adhesion. The vasorelaxant and cardioprotective effects in both in vivo and ex vivo experiments, which are enabled by activation of muscarinic receptor and/or releasing the nitric oxide and by reducing the adrenaline, induced oxidative stress, justifying its usage in cardiovascular disorders.
Computational Approaches to the Electronic Properties of Noble Metal Nanoclusters Protected by Organic Ligands
Authors: MUNIZ-MIRANDA Francesco
Published: September 2021

Organometallic nanoparticles composed by metal cores with sizes under two nanometers covered with organic capping ligands exhibit intermediate properties between those of atoms and molecules on one side, and those of larger metal nanoparticles on the other. In fact, these particles do not show a peculiar metallic behavior, characterized by plasmon resonances, but instead they have nonvanishing band-gaps, more along molecular optical properties. As a consequence, they are suitable to be described and investigated by computational approaches such as those used in quantum chemistry, for instance those based on the time-dependent density functional theory (TD-DFT). Here, I present a short review of the research performed from 2014 onward at the University of Modena and Reggio Emilia (Italy) on the TD-DFT interpretation of the electronic spectra of different organic-protected gold and/or silver nanoclusters.
High-Performance Asymmetric Optical Transmission Based on a Dielectric–Metal Metasurface
Authors: Liu Wenbing , Huang Lirong , Ding Jifei , Xie Chenkai , Luo Yi , Hong Wei
Published: September 2021

Asymmetric optical transmission plays a key role in many optical systems. In this work, we propose and numerically demonstrate a dielectric–metal metasurface that can achieve high-performance asymmetric transmission for linearly polarized light in the near-infrared region. Most notably, it supports a forward transmittance peak (with a transmittance of 0.70) and a backward transmittance dip (with a transmittance of 0.07) at the same wavelength of 922 nm, which significantly enhances operation bandwidth and the contrast ratio between forward and backward transmittances. Mechanism analyses reveal that the forward transmittance peak is caused by the unidirectional excitation of surface plasmon polaritons and the first Kerker condition, whereas the backward transmittance dip is due to reflection from the metal film and a strong toroidal dipole response. Our work provides an alternative and simple way to obtain high-performance asymmetric transmission devices.
Hot Oscillatory Pressing of Carbon Nanotube-Reinforced Copper Matrix Nanocomposite
Authors: Han Min , Ding Yunpeng , Hu Jinbiao , Shi Zhiai , Jiao Sijia , Guo Xiaoqin , Wang Hanying , An Linan
Published: September 2021

Carbon nanotube reinforced copper matrix nanocomposites have great potential in machinery, microelectronics, and other applications. The materials are usually prepared by powder metallurgy processes, in which consolidation is a key step for high performance. To improve the density and mechanical properties, the authors explored the use of hot oscillatory pressing (HOP) to prepare this material. A carbon nanotube reinforced copper matrix nanocomposite was synthesized by both HOP and hot pressing (HP) at various temperatures, respectively. The samples prepared by HOP exhibited significantly higher density and hardness than those prepared by HP at the same temperature, and this was because the oscillatory pressure of HOP produced remarkable plastic deformation in copper matrix during sintering. With the decrease of sintering temperature in HOP, the amount of deformation defect increased gradually, playing a key role in the increasing hardness. This work proves experimentally for the first time that HOP can produce much more plastic deformation than HP to promote densification, and that HOP could be a very promising technique for preparing high-performance carbon nanotube reinforced copper matrix nanocomposites.
Improved Sensitivity of Surface-Enhanced Raman Scattering with Gold Nanoparticles-Insulator-Metal Sandwich Layers on Flat Sapphire Substrate
Authors: Li Wenbing , Tong Xin , Yang Zhuo , Zhang Jiali , Liu Bo , Chen Chao Ping
Published: September 2021

Surface-enhanced Raman scattering (SERS) as a high sensitivity analytical method for molecule detection has attracted much attention in recent research. In this work, we demonstrated an improved SERS substrate, which has the gold nanoparticles randomly distributed on a SiO2 interception layer over a gold thin film layer on the flat sapphire substrate (AuNP/SiO2/Au/Sapphire), over the dispersed gold nanoparticles on a silicon substrate (AuNP/Si), for detection of R6G (1 × 10−6 M) in a Raman microscope. The fabrication of sandwich layers on top of the sapphire substrate involves evaporation of a gold mirror as thick as 100 nm, plasma enhanced chemical vapor deposition of the silica insulator layer 10 nm thick, and evaporation of a thin gold layer 10 nm thick for forming gold nanoparticles. For comparison, a gold thin film with a thickness of 5 nm and 10 nm was evaporated on a silicon substrate, respectively (AuNP/Si), as the reference SERS substrates in the experiment. The AuNP/SiO2/Au/Sapphire substrate demonstrated improved sensitivity in detection of molecules in Raman microscopy, which can enable the molecules to be recognizable at a low laser power as 8.5 × 10−3 mW, 0.017 mW, 0.085 mW, and 0.17 mW for ultrashort exposure time. The simulation of AuNP/SiO2/Au/Sapphire substrate and AuNP/Si substrate, based on the finite-difference time-domain (FDTD) method, explained the improved sensitivity for detection of R6G molecules from the view of classical electromagnetics, and it suggested the optimized size for the gold nanoparticles and the optimized laser wavelength for Raman microscopy for further research.
Determining the Preferred Orientation of Silver-Plating via X-ray Diffraction Profile
Authors: Li Taotao , Zheng Liuwei , Zhang Wanggang , Zhu Pengfei
Published: September 2021

Determining the preferred orientation of plating film is of practical importance. In this work, the Rietveld method and quantitative texture analysis (RM+QTA) are used to analyze the preferred orientation of plating silver film with XRD profile, whose <311> axial texture can be completely described by a set of exponential harmonics index, extracted from a single XRD profile, C41,1(0.609), C61,1(0.278), C81,1(−0.970). The constructed pole figures with the index of the exponential harmonic are following those measured by the multi-axis diffractometer. The method using exponential harmonic index can be extended to characterize the plating by electroplating in a quantitative harmonic description. In addition, a new dimension involving crystallite shape and size is considered in characterizing the preferred orientation.
N-Doped Graphene as an Efficient Metal-Free Electrocatalyst for Indirect Nitrate Reduction Reaction
Authors: Zhao Jujiao , Shang Bo , Zhai Jun
Published: September 2021

N-doped graphene samples with different N species contents were prepared by a two-step synthesis method and evaluated as electrocatalysts for the nitrate reduction reaction (NORR) for the first time. In an acidic solution with a saturated calomel electrode as reference, the pyridinic-N dominant sample (NGR2) had an onset of 0.932 V and a half-wave potential of 0.833 V, showing the superior activity towards the NORR compared to the pyrrolic-N dominant N-doped graphene (onset potential: 0.850 V, half-wave potential: 0.732 V) and the pure graphene (onset potential: 0.698 V, half-wave potential: 0.506 V). N doping could significantly boost the NORR performance of N-doped graphene, especially the contribution of pyridinic-N. Density functional theory calculation revealed the pyridinic-N facilitated the desorption of NO, which was kinetically involved in the process of the NORR. The findings of this work would be valuable for the development of metal-free NORR electrocatalysts.
Physical and Chemical Activation of Graphene-Derived Porous Nanomaterials for Post-Combustion Carbon Dioxide Capture
Authors: Firdaus Rabita Mohd , Desforges Alexandre , Emo Mélanie , Mohamed Abdul Rahman , Vigolo Brigitte
Published: September 2021

Activation is commonly used to improve the surface and porosity of different kinds of carbon nanomaterials: activated carbon, carbon nanotubes, graphene, and carbon black. In this study, both physical and chemical activations are applied to graphene oxide by using CO2 and KOH-based approaches, respectively. The structural and the chemical properties of the prepared activated graphene are deeply characterized by means of scanning electron microscopy, Raman spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectrometry and nitrogen adsorption. Temperature activation is shown to be a key parameter leading to enhanced CO2 adsorption capacity of the graphene oxide-based materials. The specific surface area is increased from 219.3 m2 g−1 for starting graphene oxide to 762.5 and 1060.5 m2 g−1 after physical and chemical activation, respectively. The performance of CO2 adsorption is gradually enhanced with the activation temperature for both approaches: for the best performances of a factor of 6.5 and 9 for physical and chemical activation, respectively. The measured CO2 capacities are of 27.2 mg g−1 and 38.9 mg g−1 for the physically and chemically activated graphene, respectively, at 25 °C and 1 bar.
Graphene-Modulated Terahertz Metasurfaces for Selective and Active Control of Dual-Band Electromagnetic Induced Reflection (EIR) Windows
Authors: He Xunjun , Sun Chenguang , Wang Yue , Lu Guangjun , Jiang Jiuxing , Yang Yuqiang , Gao Yachen
Published: September 2021

Currently, metasurfaces (MSs) integrating with different active materials have been widely explored to actively manipulate the resonance intensity of multi-band electromagnetic induced transparency (EIT) windows. Unfortunately, these hybrid MSs can only realize the global control of multi-EIT windows rather than selective control. Here, a graphene-functionalized complementary terahertz MS, composed of a dipole slot and two graphene-integrated quadrupole slots with different sizes, is proposed to execute selective and active control of dual-band electromagnetic induced reflection (EIR) windows. In this structure, dual-band EIR windows arise from the destructive interference caused by the near field coupling between the bright dipole slot and dark quadrupole slot. By embedding graphene ribbons beneath two quadrupole slots, the resonance intensity of two windows can be selectively and actively modulated by adjusting Fermi energy of the corresponding graphene ribbons via electrostatic doping. The theoretical model and field distributions demonstrate that the active tuning behavior can be ascribed to the change in the damper factor of the corresponding dark mode. In addition, the active control of the group delay is further investigated to develop compact slow light devices. Therefore, the selective and active control scheme introduced here can offer new opportunities and platforms for designing multifunctional terahertz devices.
Photocatalytic Degradation of Tobacco Tar Using CsPbBr3 Quantum Dots Modified Bi2WO6 Composite Photocatalyst
Authors: Huang Runda , Zhang Menglong , Zheng Zhaoqiang , Wang Kunqiang , Liu Xiao , Chen Qizan , Luo Dongxiang
Published: September 2021

Polycyclic aromatic hydrocarbons (PAHs) in tobacco tar are regarded as a significant threat to human health. PAHs are formed due to the incomplete combustion of organics in tobacco and cigarette paper. Herein, for the first time, we extended the application of CsPbBr3 quantum dots (CsPbBr3) to the photocatalytic degradation of tobacco tar, which was collected from used cigarette filters. To optimize the photoactivity, CsPbBr3 was coupled with Bi2WO6 for the construction of a type-II photocatalyst. The photocatalytic performance of the CsPbBr3/Bi2WO6 composite was evaluated by the degradation rate of PAHs from tobacco tar under simulated solar irradiation. The results revealed that CsPbBr3/Bi2WO6 possesses a large specific surface area, outstanding absorption ability, good light absorption and rapid charge separation. As a result, in addition to good stability, the composite photocatalyst performed remarkably well in degrading PAHs (over 96% were removed in 50 mins of irradiation by AM 1.5 G). This study sheds light on promising novel applications of halide perovskite.