bluuebunny/crossref_metadata_2025 huggingface dataset:
Dimerization of Acetylene to Monovinylacetylene (MVA) by Bimetallic Zr/Cu Catalyst in Nieuwland Catalytic System
Authors: Zheng Leng , Lin Ruolin , Luo Dingjie , Guo Liang , Zhang Jinli
Published: January 2022

Nieuwland catalyst is a key step in the dimerization of acetylene. Various zirconium metal additives incorporating Nieuwland catalysts were prepared, and their catalytic performances were assessed in acetylene dimerization. Different characterization techniques (i.e., thermogravimetric analysis, temperature-programmed reduction, X-ray diffraction, X-ray photoelectron spectroscopy, hydrogen ion concentration measurement and transmission electron microscopy) were employed in this study. The best catalytic performance was obtained over zirconium-acetylacetonate-incorporated Nieuwland catalysts, with an acetylene conversion of 53.3% and a monovinylacetylene selectivity of 87.4%. Based on these results, the zirconium acetylacetonate additive could reduce the types of transition state complexes, and it could also change the morphology of the catalyst. In addition, the additives could significantly inhibit the occurrence of trimerization products and polymers. Hence, the conversion of acetylene, monovinylacetylene selectivity, and stability of the Nieuwland catalysts were enhanced.
Influence of Tool Shape on Surface Quality of Monocrystalline Nickel Nanofabrication
Authors: Ren Jie , Yue Haibao , Liang Guoxing , Lv Ming
Published: January 2022

In this paper, the influence of tool shape on the surface quality of monocrystalline nickel nanofabrication is studied. The research mainly adopts the method of molecular dynamics simulation, through the statistics of the atomic coordinates of the machined surface, then calculates the influence of different tool rake angles on the surface roughness of monocrystalline nickel. It is concluded that the surface roughness distribution is ‘W’ when the rake angle of the diamond tool changes from −45° to +45°. When analyzing the relationship between the tool shape and the processing temperature, it is found that when the clearance angle of the tool reaches a certain range, the clearance angle is further increased, and the temperature of the workpiece does not change during machining. Therefore, a large number of simulations were carried out, and it was concluded that there is a critical clearance angle, and the critical clearance angle of the tool in the research conditions is 8–10°.
A Comprehensive Review on the Techniques for Extraction of Bioactive Compounds from Medicinal Cannabis
Authors: AL Ubeed Hebah Muhsien Sabiah , Bhuyan Deep Jyoti , Alsherbiny Muhammad A. , Basu Amrita , Vuong Quan V.
Published: January 2022

Cannabis is well-known for its numerous therapeutic activities, as demonstrated in pre-clinical and clinical studies primarily due to its bioactive compounds. The Cannabis industry is rapidly growing; therefore, product development and extraction methods have become crucial aspects of Cannabis research. The evaluation of the current extraction methods implemented in the Cannabis industry and scientific literature to produce consistent, reliable, and potent medicinal Cannabis extracts is prudent. Furthermore, these processes must be subjected to higher levels of scientific stringency, as Cannabis has been increasingly used for various ailments, and the Cannabis industry is receiving acceptance in different countries. We comprehensively analysed the current literature and drew a critical summary of the extraction methods implemented thus far to recover bioactive compounds from medicinal Cannabis. Moreover, this review outlines the major bioactive compounds in Cannabis, discusses critical factors affecting extraction yields, and proposes future considerations for the effective extraction of bioactive compounds from Cannabis. Overall, research on medicinal marijuana is limited, with most reports on the industrial hemp variety of Cannabis or pure isolates. We also propose the development of sustainable Cannabis extraction methods through the implementation of mathematical prediction models in future studies.
Thyroid-Stimulating Hormone Favors Runx2-Mediated Matrix Mineralization in HOS and SaOS2 Cells: An In Vitro and In Silico Approach
Authors: Govindan Ramajayam , El-Sherbiny Mohamed , Ibraheem Khalid Mohamed Morsy , Narasimhan Srinivasan , Salama Mohamed EL-Dosoky Mohamed , Ahmad Fazil , Jayaraman Selvaraj , Veeraraghavan Vishnu Priya , Vengadassalapathy Srinivasan , Mohan Surapaneni Krishna , Umapathy Vidhya Rekha , Rengasamy Gayathri , Hussain Shazia Fathima Jaffer , Poomarimuthu Maheshkumar , Kalimuthu Senthilkumar
Published: January 2022

Osteoporosis is a skeletal disease that is both systemic and silent characterized by an unbalanced activity of bone remodeling leading to bone loss. Rising evidences demonstrate that thyroid stimulating hormone (TSH) has an important role in the regulation on the metabolism of bone. However, TSH regulation on human osteoblast essential transcriptional factors has not been identified. Current study examined the role of TSH on human osteoblastic Runx2 expression and their functional genes by in vitro and in slico analysis. Human osteoblast like (HOS and SaoS-2) cells were cultured with DMEM and treated with hTSH at the concentration of 0.01 ng/mL and 10 ng/mL. After treatment, osteoblastic Runx2 and IGF-1R beta expression were studied using RT-PCR and western blot analysis. TSH treatment induced osteoblastic essential transcriptional factor, Runx2 in HOS and SaOS2 cells on 48 h duration and elevated the expression of IGF-IR β gene and Protein in SaoS-2 cells. TSH also promotes Runx2 responsive genes such as ALP, Collagen and osteocalcin in SaOS2 cells on day 2 to day 14 of 10 ng/mL of treatment and favors’ matrix mineralization matrix in these cells. In addition, TSH facilitated human osteoblastic cells to mineralize their matrix confirmed by day 21 of alizarin red calcium staining. In silico study was performed to check CREB and ELK1 interaction with Runx2. Results of in silico analysis showed that TSH mediated signalling molecules such as CREB and ELK1 showed interaction with Runx2 which involve in osteobalstic gene expression and differentiation. Present findings confirm that TSH promotes Runx2 expression, osteoblastic responsive genes and bone matrix formation.
Recent Advances in Visible-Light Photoredox Catalysis for the Thiol-Ene/Yne Reactions
Authors: Xiao Qian , Tong Qing-Xiao , Zhong Jian-Ji
Published: January 2022

Visible-light photoredox catalysis has been established as a popular and powerful tool for organic transformations owing to its inherent characterization of environmental friendliness and sustainability in the past decades. The thiol-ene/yne reactions, the direct hydrothiolation of alkenes/alkynes with thiols, represents one of the most efficient and atom-economic approaches for the carbon-sulfur bonds construction. In traditional methodologies, harsh conditions such as stoichiometric reagents or a specialized UV photo-apparatus were necessary suffering from various disadvantages. In particular, visible-light photoredox catalysis has also been demonstrated to be a greener and milder protocol for the thiol-ene/yne reactions in recent years. Additionally, unprecedented advancements have been achieved in this area during the past decade. In this review, we will summarize the recent advances in visible-light photoredox catalyzed thiol-ene/yne reactions from 2015 to 2021. Synthetic strategies, substrate scope, and proposed reaction pathways are mainly discussed.
DFT, ADMET and Molecular Docking Investigations for the Antimicrobial Activity of 6,6′-Diamino-1,1′,3,3′-tetramethyl-5,5′-(4-chlorobenzylidene)bis[pyrimidine-2,4(1H,3H)-dione]
Authors: El-Shamy Nesreen T. , Alkaoud Ahmed M. , Hussein Rageh K. , Ibrahim Moez A. , Alhamzani Abdulrahman G. , Abou-Krisha Mortaga M.
Published: January 2022

Heterocyclic compounds, including pyrimidine derivatives, exhibit a broad variety of biological and pharmacological activities. In this paper, a previously synthesized novel pyrimidine molecule is proposed, and its pharmaceutical properties are investigated. Computational techniques such as the density functional theory, ADMET evaluation, and molecular docking were applied to elucidate the chemical nature, drug likeness and antibacterial function of molecule. The viewpoint of quantum chemical computations revealed that the molecule was relatively stable and has a high electrophilic nature. The contour maps of HOMO-LUMO and molecular electrostatic potential were analyzed to illustrate the charge density distributions that could be associated with the biological activity. Natural bond orbital (NBO) analysis revealed details about the interaction between donor and acceptor within the bond. Drug likeness and ADMET analysis showed that the molecule possesses the agents of safety and the effective combination therapy as pharmaceutical drug. The antimicrobial activity was investigated using molecular docking. The investigated molecule demonstrated a high affinity for binding within the active sites of antibacterial and antimalarial proteins. The high affinity of the antibacterial protein was proved by its low binding energy (−7.97 kcal/mol) and a low inhibition constant value (1.43 µM). The formation of four conventional hydrogen bonds in ligand–protein interactions confirmed the high stability of the resulting complexes. When compared to known standard drugs, the studied molecule displayed a remarkable antimalarial activity, as indicated by higher binding affinity (B.E. −5.86 kcal/mol & Ki = 50.23 M). The pre-selected molecule could be presented as a promising drug candidate for the development of novel antimicrobial agents.
The Multifarious Applications of Copper Nanoclusters in Biosensing and Bioimaging and Their Translational Role in Early Disease Detection
Authors: Babu Busi Kumar , Palanivel Mathangi , Kanta Ghosh Krishna , Basu Ball Writoban , Gulyás Balázs , Padmanabhan Parasuraman , Chakrabortty Sabyasachi
Published: January 2022

Nanoclusters possess an ultrasmall size, amongst other favorable attributes, such as a high fluorescence and long-term colloidal stability, and consequently, they carry several advantages when applied in biological systems for use in diagnosis and therapy. Particularly, the early diagnosis of diseases may be facilitated by the right combination of bioimaging modalities and suitable probes. Amongst several metallic nanoclusters, copper nanoclusters (Cu NCs) present advantages over gold or silver NCs, owing to their several advantages, such as high yield, raw abundance, low cost, and presence as an important trace element in biological systems. Additionally, their usage in diagnostics and therapeutic modalities is emerging. As a result, the fluorescent properties of Cu NCs are exploited for use in optical imaging technology, which is the most commonly used research tool in the field of biomedicine. Optical imaging technology presents a myriad of advantages over other bioimaging technologies, which are discussed in this review, and has a promising future, particularly in early cancer diagnosis and imaging-guided treatment. Furthermore, we have consolidated, to the best of our knowledge, the recent trends and applications of copper nanoclusters (Cu NCs), a class of metal nanoclusters that have been gaining much traction as ideal bioimaging probes, in this review. The potential modes in which the Cu NCs are used for bioimaging purposes (e.g., as a fluorescence, magnetic resonance imaging (MRI), two-photon imaging probe) are firstly delineated, followed by their applications as biosensors and bioimaging probes, with a focus on disease detection.
Cationic Pollutant Removal from Aqueous Solution Using Reduced Graphene Oxide
Authors: Tene Talia , Bellucci Stefano , Guevara Marco , Viteri Edwin , Arias Polanco Malvin , Salguero Orlando , Vera-Guzmán Eder , Valladares Sebastián , Scarcello Andrea , Alessandro Francesca , Caputi Lorenzo S. , Vacacela Gomez Cristian
Published: January 2022

Reduced graphene oxide (rGO) is one of the most well-known graphene derivatives, which, due to its outstanding physical and chemical properties as well as its oxygen content, has been used for wastewater treatment technologies. Particularly, extra functionalized rGO is widely preferred for treating wastewater containing dyes or heavy metals. Nevertheless, the use of non-extra functionalized (pristine) rGO for the removal of cationic pollutants is not explored in detail or is ambiguous. Herein, pristine rGO—prepared by an eco-friendly protocol—is used for the removal of cationic pollutants from water, i.e., methylene blue (MB) and mercury-(II) (Hg-(II)). This work includes the eco-friendly synthesis process and related spectroscopical and morphological characterization. Most importantly, the investigated rGO shows an adsorption capacity of 121.95 mg g−1 for MB and 109.49 mg g−1 for Hg (II) at 298 K. A record adsorption time of 30 min was found for MB and 20 min for Hg (II) with an efficiency of about 89% and 73%, respectively. The capture of tested cationic pollutants on rGO exhibits a mixed physisorption–chemisorption process. The present work, therefore, presents new findings for cationic pollutant adsorbent materials based on oxidized graphenes, providing a new perspective for removing MB molecules and Hg(II) ions.
Hsa-miR-183-5p Modulates Cell Adhesion by Repression of ITGB1 Expression in Prostate Cancer
Authors: Oliveira-Rizzo Carolina , Ottati María Carolina , Fort Rafael Sebastián , Chavez Santiago , Trinidad Juan Manuel , DiPaolo Andrés , Garat Beatriz , Sotelo-Silveira José Roberto , Duhagon María Ana
Published: January 2022

Prostate cancer is a major health problem worldwide. MiR-183 is an oncomiR and a candidate biomarker in prostate cancer, affecting various pathways responsible for disease initiation and progression. We sought to discover the most relevant processes controlled by miR-183 through an unbiased transcriptomic approach using prostate cell lines and patient tissues to identify miR-183 responsive genes and pathways. Gain of function experiments, reporter gene assays, and transcript and protein measurements were conducted to validate predicted functional effects and protein mediators. A total of 135 candidate miR-183 target genes overrepresenting cell adhesion terms were inferred from the integrated transcriptomic analysis. Cell attachment, spreading assays and focal adhesion quantification of miR-183-overexpressing cells confirmed the predicted reduction in cell adhesion. ITGB1 was validated as a major target of repression by miR-183 as well as a mediator of cell adhesion in response to miR-183. The reporter gene assay and PAR-CLIP read mapping suggest that ITGB1 may be a direct target of miR-183. The negative correlation between miR-183 and ITGB1 expression in prostate cancer cohorts supports their interaction in the clinical set. Overall, cell adhesion was uncovered as a major pathway controlled by miR-183 in prostate cancer, and ITGB1 was identified as a relevant mediator of this effect.
d-Allulose Improves Endurance and Recovery from Exhaustion in Male C57BL/6J Mice
Authors: Liu Bingyang , Gou Yang , Tsuzuki Takamasa , Yamada Takako , Iida Tetsuo , Wang Sixian , Banno Ryoichi , Toyoda Yukiyasu , Koike Teruhiko
Published: January 2022

d-Allulose, a rare sugar, improves glucose metabolism and has been proposed as a candidate calorie restriction mimetic. This study aimed to investigate the effects of d-allulose on aerobic performance and recovery from exhaustion and compared them with the effects of exercise training. Male C57BL/6J mice were subjected to exercise and allowed to run freely on a wheel. Aerobic performance was evaluated using a treadmill. Glucose metabolism was analyzed by an intraperitoneal glucose tolerance test (ipGTT). Skeletal muscle intracellular signaling was analyzed by Western blotting. Four weeks of daily oral administration of 3% d-allulose increased running distance and shortened recovery time as assessed by an endurance test. d-Allulose administration also increased the maximal aerobic speed (MAS), which was observed following treatment for >3 or 7 days. The improved performance was associated with lower blood lactate levels and increased liver glycogen levels. Although d-allulose did not change the overall glucose levels as determined by ipGTT, it decreased plasma insulin levels, indicating enhanced insulin sensitivity. Finally, d-allulose enhanced the phosphorylation of AMP-activated protein kinase and acetyl-CoA carboxylase and the expression of peroxisome proliferator-activated receptor γ coactivator 1α. Our results indicate that d-allulose administration enhances endurance ability, reduces fatigue, and improves insulin sensitivity similarly to exercise training. d-Allulose administration may be a potential treatment option to alleviate obesity and enhance aerobic exercise performance.
The Endocannabinoid System, an Underexploited and Promising Niche for the Pharmacological Treatment of Obesity and Metabolic Diseases
Authors: Gómez-Ambrosi Javier
Published: January 2022

Obesity represents the most prevalent metabolic disease in the world at present, posing an important public health challenge [...]
The Body Fat Percentage Rather Than the BMI Is Associated with the CD4 Count among HIV Positive Japanese Individuals
Authors: Shoji Kumiko , Shirano Michinori , Konishi Mitsuru , Toyoshima Yuko , Matsumoto Miyuki , Goto Tetsushi , Kasamatsu Yu , Ichida Yuji , Kagawa Yasuo , Kawabata Terue , Ogata Hiromitsu , Habu Daiki
Published: January 2022

Maintenance of the cluster of differentiation 4 (CD4) positive lymphocyte count (CD4 count) is important for human immunodeficiency virus (HIV) positive individuals. Although a higher body mass index (BMI) is shown to be associated with a higher CD4 count, BMI itself does not reflect body composition. Therefore, we examined the association of body weight, body composition and the CD4 count, and determined the optimal ranges of CD4 count associated factors in Japanese HIV positive individuals. This cross-sectional study included 338 male patients treated with antiretroviral therapy for ≥12 months. Multiple logistic regression analysis was used to identify factors significantly associated with a CD4 count of ≥500 cells (mm3)−1. The cutoff values of factors for a CD4 ≥ 500 cells (mm3)−1 and cardiovascular disease risk were obtained by receiver operating characteristic curves. Age, body fat percentage (BF%), nadir CD4 count, duration of antiretroviral therapy (ART), years since the HIV-positive diagnosis and cholesterol intake showed significant associations with the CD4 count. The cutoff value of BF% for a CD4 ≥ 500 cells (mm3)−1 and lower cardiovascular disease risk were ≥25.1% and ≤25.5%, respectively. The BF%, but not the BMI, was associated with CD4 count. For the management of HIV positive individuals, 25% appears to be the optimal BF% when considering the balance between CD4 count management and cardiovascular disease risk.
Urocortin Neuropeptide Levels Are Impaired in the PBMCs of Overweight Children
Authors: Kavalakatt Sina , Khadir Abdelkrim , Kochumon Shihab , Madhu Dhanya , Devarajan Sriraman , Hammad Maha , Alam-Eldin Nada , Warsame Samia , Al-Kandari Hessa , AlMahdi Maria , Ahmad Rasheed , Koistinen Heikki A. , Tuomilehto Jaakko , Al-Mulla Fahd , Abubaker Jehad , Tiss Ali
Published: January 2022

The corticotropin-releasing hormone (CRH) and urocortins (UCNs) have been implicated in energy homeostasis and the cellular stress response. However, the expression of these neuropeptides in children remains unclear. Therefore, we determined the impact of obesity on their expression in 40 children who were normal weight, overweight, and had obesity. Peripheral blood mononuclear cells (PBMCs) and plasma were used to assess the expression of neuropeptides. THP1 cells were treated with 25 mM glucose and 200 µM palmitate, and gene expression was measured by real-time polymerase chain reaction (RT-PCR). Transcript levels of neuropeptides were decreased in PBMCs from children with increased body mass index as indicated by a significant decrease in UCN1, UCN3, and CRH mRNA in overweight and obese children. UCN3 mRNA expression was strongly correlated with UCN1, UCN2, and CRH. Exposure of THP1 cells to palmitate or a combination of high glucose and palmitate for 24 h increased CRH, UCN2, and UCN3 mRNA expression with concomitant increased levels of inflammatory and endoplasmic reticulum stress markers, suggesting a crosstalk between these neuropeptides and the cellular stress response. The differential impairment of the transcript levels of CRH and UCNs in PBMCs from overweight and obese children highlights their involvement in obesity-related metabolic and cellular stress.
Recent Applications of Pd-Catalyzed Suzuki–Miyaura and Buchwald–Hartwig Couplings in Pharmaceutical Process Chemistry
Authors: Takale Balaram S. , Kong Fan-Yi , Thakore Ruchita R.
Published: January 2022

Cross-coupling reactions have changed the way complex molecules are synthesized. In particular, Suzuki–Miyaura and Buchwald–Hartwig amination reactions have given opportunities to elegantly make pharmaceutical ingredients. Indeed, these reactions are at the forefront of both the stages of drug development, medicinal chemistry, and process chemistry. On the one hand, these reactions have given medicinal chemists a resource to derivatize the core compound to arrive at scaffold rapidly. On the other hand, these cross couplings have offered the process chemists a smart tool to synthesize the development candidates safely, quickly, and efficiently. Generally, the application of cross-coupling reactions is broad. This review will specifically focus on their real (pharma) world applications in large-scale synthesis appearing in the last three years.
Computational and Biological Evaluation of β-Adrenoreceptor Blockers as Promising Bacterial Anti-Virulence Agents
Authors: Almalki Ahmad J. , Ibrahim Tarek S. , Elhady Sameh S. , Hegazy Wael A. H. , Darwish Khaled M.
Published: January 2022

Bacterial resistance to antibiotics is an increasing public health threat as it has the potential to affect people at any stage of life, as well as veterinary. Various approaches have been proposed to counteract the bacterial resistance development. Tackling bacterial virulence is one of the most promising approaches that confer several merits. The bacterial virulence is mainly regulated by a communication system known as quorum sensing (QS) system. Meanwhile, bacteria can sense the adrenergic hormones and eavesdrops on the host cells to establish their infection, adrenergic hormones were shown to enhance the bacterial virulence. In this study, β-adrenoreceptor blockers were proposed not only to stop bacterial espionage on our cells but also as inhibitors to the bacterial QS systems. In this context, a detailed in silico study has been conducted to evaluate the affinities of twenty-two β-blockers to compete on different structural QS receptors. Among the best docked and thermodynamically stable β-blockers; atenolol, esmolol, and metoprolol were subjected to further in vitro and in vivo investigation to evaluate their anti-QS activities against Chromobacterium violaceum, Pseudomonas aeruginosa and Salmonella typhimurium. The three tested β-blockers decreased the production of QS-controlled C. violaceum, and the formation of biofilm by P. aeruginosa and S. typhimurium. Additionally, the tested β-blockers down-regulated the P. aeruginosa QS-encoding genes and S. typhimurium sensor kinase encoding genes. Furthermore, metoprolol protected mice against P. aeruginosa and S. typhimurium. Conclusively, these investigated β-blockers are promising anti-virulence agents antagonizing adrenergic hormones induced virulence, preventing bacterial espionage, and blocking bacterial QS systems.
Antioxidant–Anti-Inflammatory Evaluation of a Polyherbal Formula
Authors: Grigore Alice , Vulturescu Virginia , Neagu Georgeta , Ungureanu Paul , Panteli Minerva , Rasit Iuksel
Published: January 2022

Most disease—both acute and chronic—results from inflammation, and reactive oxygen species (ROS) are considered some of the strongest stimuli of inflammation. Many studies reported the traditional use of herbal species for treating inflammation, especially when ROS are involved. The present study aims to demonstrate the antioxidant–anti-inflammatory effects of a patented preparation based on Populus nigra and Rosmarinus officinalis extracts and to highlight its applicative potential; the formula was characterized by HPTLC and HPLC and in-vitro studies were conducted on TNF-α-stimulated HUVECs. The antioxidant activity of the formula was determined by DPPH assay and the phosphomolybdenum method; to assess in-vivo anti-inflammatory activity, a rat paw edema model was used; the formula contains high amounts of polyphenols. It exhibited scavenging activity of 50–85% at 1–10 mg/mL, it inhibited nitrite production and ICAM-1 expression in TNF-α-stimulated endothelial cell cultures dose-dependently, at a maximum of 58.7% at the maximum dose administered and exerted an obvious anti-inflammatory effect in vivo, settling early and decreasing at 180 min; a new herbal bioactive product was presented with promising therapeutic potential that can be an adjunct to conventional therapies for diseases based on oxidative stress and inflammation.
Discovery of Novel Andrographolide Derivatives as Antiviral Inhibitors against Human Enterovirus A71
Authors: Tan Jie Kai , Chen Ran , Lee Regina Ching Hua , Li Feng , Dai Kun , Zhou Guo-Chun , Chu Justin Jang Hann
Published: January 2022

Hand-foot-and-mouth disease (HFMD) caused by human enterovirus A71 (EV-A71) infection has been associated with severe neurological complications. With the lack of an internationally approved antiviral, coupled with a surge in outbreaks globally, EV-A71 has emerged as a neurotropic virus of high clinical importance. Andrographolide has many pharmacological effects including antiviral activity and its derivative, andrographolide sulfonate, has been used in China clinically to treat EV-A71 infections. This study sought to identify novel andrographolide derivatives as EV-A71 inhibitors and elucidate their antiviral mode of action. Using an immunofluorescence-based phenotypic screen, we identified novel EV-A71 inhibitors from a 344-compound library of andrographolide derivatives and validated them with viral plaque assays. Among these hits, ZAF-47, a quinolinoxy-andrographolide, was selected for downstream mechanistic studies. It was found that ZAF-47 acts on EV-A71 post-entry stages and inhibits EV-A71 protein expression. Subsequent luciferase studies confirm that ZAF-47 targets EV-A71 genome RNA replication specifically. Unsuccessful attempts in generating resistant mutants led us to believe a host factor is likely to be involved which coincide with the finding that ZAF-47 exhibits broad-spectrum antiviral activity against other enteroviruses (CV-A16, CV-A6, Echo7, CV-B5, CV-A24 and EV-D68). Furthermore, ZAF-46 and ZAF-47, hits from the screen, were derivatives of the same series containing quinolinoxy and olefin modifications, suggesting that an andrographolide scaffold mounted with these unique moieties could be a potential anti-EV-A71/HFMD strategy.
Development of Sedative Dexmedetomidine Sublingual In Situ Gels: In Vitro and In Vivo Evaluations
Authors: Allam Ayat A. , Eleraky Nermin E. , Diab Nadeen H. , Elsabahy Mahmoud , Mohamed Sahar A. , Abdel-Ghaffar Hala S. , Hassan Nivin A. , Shouman Samia A. , Omran Mervat M. , Hassan Sahar B. , Eissa Noura G.
Published: January 2022

Intravenous dexmedetomidine (DEX) is currently approved by the FDA for the sedation of intubated patients in intensive care units to reduce anxiety and to augment postoperative analgesia. Bradycardia and hypotension are limitations associated with the intravenous administration of DEX. In this study, DEX sublingual in situ gels were developed and assessed for their pH, gelling capacity, viscosity, mucoadhesion and in vitro drug release. The optimized gelling system demonstrated enhanced mucoadhesion, superior gelling capacity, reasonable pH and optimal rheological profile. In vivo, compared to the oral solution, the optimal sublingual gel resulted in a significant higher rate and extent of bioavailability. Although the in situ gel had comparable plasma levels to those observed following intravenous administration, significant amelioration of the systemic adverse reactions were attained. As demonstrated by the hot plate method, a sustained duration of analgesia in rats was observed after sublingual administration of DEX gel compared to the intravenously administered DEX solution. Furthermore, no changes in systolic blood pressure and heart rate were recorded in rats and rabbits, respectively, after sublingual administration of DEX. Sublingual administration of DEX in situ gel provides a promising approach for analgesia and sedation, while circumventing the reported adverse reactions associated with intravenous administration of DEX.
Simultaneous Physico-Mechanical and In Vivo Assessment towards Factual Skin Performance Profile of Topical Polymeric Film-Forming Systems
Authors: Timotijević Mirjana D. , Ilić Tanja , Savić Snežana , Pantelić Ivana
Published: January 2022

Topical film-forming systems (FFS) change drastically after solvent displacement, therefore indicating their skin metamorphosis/transformation as a property of special regulatory and research interest. This paper deals with the lack of suitable characterization techniques, suggesting a set of methods able to provide a comprehensive notion of FFS skin performance. After screening the physico-chemical, mechanical and sensory properties of FFS and resulting films, an elaborate three-phase in vivo study was performed, covering skin irritation, friction and substantivity. Upon removal of 24-hour occlusion, no significant change in erythema index was observed, while the film-former type (cellulose ether, acrylate and/or vinyl polymer) affected transepidermal water loss (TEWL); hydrophobic methacrylate copolymer-based samples decreased TEWL by 40–50%, suggesting a semi-occlusive effect. Although both the tribological parameters related to the friction coefficient and the friction curve’s plateau provided valuable data, their analysis indicated the importance of the moment the plateau is reached as the onset of the secondary formulation, while the tertiary state is still best described by the completion of the film’s drying time. The final part of the in vivo study proved the high in-use substantivity of all samples but confirmed the optimal 4:1 ratio of hydrophobic cationic and hydrophilic polymers, as indicated during early physico-mechanical screening.
The Influence of Bounding Plates on Species Separation in a Vertical Thermogravitational Column
Authors: Mojtabi Abdelkader , Costeseque Pierre , Ouattara Bafétigué , Charrier-Mojtabi Marie-Catherine , Rees D. Andrew S.
Published: January 2022

In this paper, an analytical and numerical analysis of the species separation in a binary mixture is performed. The main objective is to study the influence of the thickness and the nature of the bounding plates of the thermogravitational column (TGC) on species separation. The theory of Furry, Jones and Onsager is extended to the cases where bounding conducting walls enclose the TGC. The governing 2-dimensional equations are solved numerically using COMSOL Multiphysics software. A good agreement is found between the analytical and the numerical results. It is shown that the determination of the thermal diffusion coefficient, DT, from the measurement of the vertical mass fraction gradient of binary solutions, does not depend on the temperature difference imposed on the vertical column either on the outer walls of the cavity or on the inner walls in contact with the binary solutions. However, it is found that this result is no longer valid in the case of a binary gas. To our knowledge, in all earlier studies, dealing with the measurement of Soret coefficients in binary fluids, the nature and the thickness of the bounding walls were not considered.
Comparative Reinforcement Effect of Achatina fulica Snail Shell Nanoparticles, Montmorillonite, and Kaolinite Nanoclay on the Mechanical and Physical Properties of Greenpoxy Biocomposite
Authors: Gbadeyan Oluwatoyin Joseph , Adali Sarp , Bright Glen , Sithole Bruce
Published: January 2022

This study investigated the comparative reinforcement effect of Achatina fulica snail shell nanoparticles, montmorillonite, and kaolinite nanoclay on greenpoxy. Greenpoxy nanocomposites of snail shell nanoparticles, montmorillonite, and kaolinite nanoclay were developed separately, with the nanofiller content ranging from 1 to 3% by weight. Specimens of the nanocomposites with different percentage weights of the nanoparticles were prepared using the resin casting method. Mechanical properties, such as the tensile strength, stiffness, hardness, and impact strength, and water absorption properties of the specimens were evaluated experimentally. It was observed that the incorporation of nanoparticles improved the mechanical properties of pure greenpoxy irrespective of the percentage weight, source, and type of reinforcement. Significantly, the loading of 1 wt.% of snail shell nanoparticles offered superior properties in most cases. Protein fibers and high-concentration calcium carbonate in snail shell nanoparticles, uniform dispersion, and excellent matrix/snail shell nanoparticle adhesion provided a strong structure, resulting in the high strength, stiffness, and decreased water uptake of the composites. The superior properties observed in snail shell nanoparticle composites suggest that this naturally sourced nanofiller can be used as a potential substitute for montmorillonite and kaolinite clays.
Electrospun 5-Chloro-7-iodo-8-hydroxyquinoline (Clioquinol)-Containing Poly(3-hydroxybutyrate)/Polyvinylpyrrolidone Antifungal Materials Prospective as Active Dressings against Esca
Authors: Ignatova Milena , Nachev Nasko , Spasova Mariya , Manolova Nevena , Rashkov Iliya , Naydenov Mladen
Published: January 2022

Esca is a grapevine disease known for centuries which pertains to the group of so-called vine trunk diseases. Phaeomoniella chlamydospora (P. chlamydospora) and Phaeoacremonium aleophilum (P. aleophilum) are the two main fungal pathogens associated with esca. Novel fibrous materials with antifungal properties based on poly(3-hydroxybutyrate) (PHB), polyvinylpyrrolidone (PVP) and 5-chloro-7-iodo-8-hydroxyquinoline (clioquinol, CQ) were developed. One-pot electrospinning (“in” strategy) or electrospinning in conjunction with electrospraying (“on” strategy) were applied to obtain the materials. The materials’ morphology and their surface chemical composition were examined using scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR). CQ incorporated in the bulk of the fibers or in PVP particles deposited on the fibers was in the amorphous phase, which was confirmed by differential scanning calorimetry (DSC) and X-ray diffraction analysis (XRD). The in vitro release of CQ depended on the composition of the electrospun materials and on their design. The performed microbiological screening revealed that, unlike the non-loaded mats, the fibrous mats loaded with CQ were effective in inhibiting the growth of the pathogenic P. chlamydospora and P. aleophilum fungi. Therefore, the created materials are promising as active dressings for grapevine protection against esca.
Parameter Measurement of Edible Sunflower Exudates and Calibration of Discrete Element Simulation Parameters
Authors: Sun Xiaoxiao , Li Bin , Liu Yang , Gao Xiaolong
Published: January 2022

To improve the accuracy of the parameters used in discrete element simulation tests in the process of clearing fresh sunflowers, this study took the extracts of fresh sunflower as the research object and used a combination of physical experiments and simulation experiments to calibrate the discrete element simulation parameters. First, the composition of the edible sunflower extract is determined, and then, the physical test method is used to determine the characteristics of the edible sunflower extract material. Based on the results of the physical test as a simulation basis, the Plackett–Burman test is used to screen the significance of the test parameters, and the screening results show that the shear modulus, static friction coefficient, and collision recovery coefficient of sunflower kernels have significant effects on the simulated angle of repose. On the basis of the steepest climbing test, the Box–Behnken test is carried out to obtain the simulated angle of repose and significance. The second-order regression equation of texture parameters is optimized with the actual physical angle of repose (24.68°) as the target value to obtain the optimal parameter combination. Finally, through the two-sample T test, p > 0.05 is obtained, indicating that the simulated angle of repose and the actual physical test angle of repose are not significantly different, and the relative error is 0.923%, which verifies the reliability of the optimal simulation parameter combination. The research results show that the calibrated simulation parameter combination can be used in discrete element simulation tests of the extraction process of sunflower extracts.
A Study on Pseudorange Biases in BDS B1I/B3I Signals and the Impacts on Beidou Wide Area Differential Services
Authors: Tian Qiuning , Cao Yueling , Hu Xiaogong , Tang Chengpan , Zhou Shanshi , Guo Rui , Li Xiaojie , Tian Yijun , Yang Yufei , Yang Jianhua
Published: January 2022

Due to satellite signal deformations, there are different constant biases in the same satellite signal that are measured by different technical types of receivers and different satellite signals that are measured by the same type of receiver, which are named pseudorange biases. These biases cannot be transmitted to users with existing navigation parameters, such as satellite time group delay (TGD) and receiver differential code biases (DCB). With the improvement of the signal-in-space accuracy of the Global Navigation Satellite System (GNSS), the pseudorange bias has become one of the primary error sources affecting the accuracy of GNSS services. To ensure the accuracy for users under the wide area differential services (WADS), we extracted the pseudorange biases of Beidou Satellite Navigation System (BDS) B1I, B3I and B1I/B3I signals and analyzed the impact of those biases on users under the WADS. Finally, we tried to eliminate this influence. The results show that the pseudorange biases of the B3I signal are smaller than those of the B1I signal at the centimeter level, but the pseudorange biases of the B1I/B3I signal can reach the meter level. Due to the large pseudorange bias of the B1I/B3I signal, the average user equivalent ranging error (UERE) under the WADS is 1.19 m, which is no better than the average UERE under open services (OS). Influenced by the pseudorange biases, the average positioning accuracies of the B1I/B3I signal are 4.17 m and 4.24 m under the WADS and the OS. When the pseudorange biases are deducted, these accuracies are 3.03 m and 3.50 m, respectively.
A Novel Approach to Validate Satellite Snowfall Retrievals by Ground-Based Point Measurements
Authors: Jeoung Hwayoung , Shi Shangyong , Liu Guosheng
Published: January 2022

A novel method has been proposed for validating satellite radar snowfall retrievals using surface station observations over the western United States mountainous region, where the mean snowfall rate at a station depends on its elevation. First, all station data within a 1° × 1° grid are used to develop a snowfall rate versus elevation relation. This relation is then used to compute snowfall rate in other locations within the 1° × 1° grid, as if surface observations were available everywhere in the grid. Grid mean snowfall rates are then derived, which should be more representative to the mean snowfall rate of the grid than using data at any one station or from a simple mean of all stations in the grid. Comparison of the so-derived grid mean snowfall rates with CloudSat retrievals shows that the CloudSat product underestimates snowfall by about 65% when averaged over all the 768 grids in the western United States mountainous regions. The bias does not seem to have clear dependency on elevation but strongly depends on snowfall rate. As an application of the method, we further estimated the snowfall to precipitation ratio using both ground and satellite measured data. It is found that the rates of increase with elevation of the snowfall to precipitation ratio are quite similar when calculating from ground and satellite data, being about 25% per kilometer elevation up or approximately 4% per every degree Cuisses of temperature drop.
Coseismic Slip Model of the 2021 Maduo Earthquake, China from Sentinel-1 InSAR Observation
Authors: Tong Xiaopeng , Xu Xiaohua , Chen Shi
Published: January 2022

The 2021 Maduo earthquake occurred in the interior of the Bayan Har block of the Tibetan Plateau. We used space-born radar interferometry to study the coseismic deformation of this earthquake. Sentinel-1 InSAR observations along ascending and descending orbits provide the coseismic deformation. Pixel offset tracking method is used to complement InSAR observations near the rupture zone. The surface trace of the ruptured fault can be clearly mapped by InSAR observations. We constructed a three-dimensional coseismic slip model constrained by interferograms and pixel offset tracking in the form of a geodetic inverse problem. The coseismic slip model demonstrates that: (1) the Maduo earthquake was a left-lateral strike-slip event with moment magnitude of 7.4; (2) the peak slip is approximately 8 m and is located at a depth of 4 km; (3) a ‘shallow slip deficit’ of the Maduo earthquake is observed; (4) the ruptured faults are found to be dipping northward with a high dipping angle (80 degrees). This study has important implications on earthquake hazard evaluation of the Bayan Har block.
Determination of Selenomethionine, Selenocystine, and Methylselenocysteine in Egg Sample by High Performance Liquid Chromatography—Inductively Coupled Plasma Mass Spectrometry
Authors: Zhao Yue , Wang Min , Yang Mengrui , Zhou Jian , Wang Tongtong
Published: January 2022

The deficiency of selenium in dietary is recognized as a global problem. Eggs, as one of the most widely consumed food products, were readily enriched with selenium and became an important intake source of selenium for humans. In order to better understand the speciation and bioaccessibility of selenium in eggs, a simple and reliable approach that could be easily used in a routine laboratory was attempted to develop for analyzing selenium species. Three of organic selenium species (selenocystine, methylselenocysteine, and selenomethionine) in liquid whole egg were completely released by enzymatic hydrolysis and detected by high performance liquid chromatography in combination with inductively coupled plasma mass spectrometry (HPLC-ICP-MS). All the parameters in enzymatic hydrolysis and separation procedures were optimized. The effect of matrix in analysis was critically evaluated by standard addition calibrations and external calibrations. Under the optimal conditions, the spike recoveries of selenium species at 0.1–0.4 μg g−1 spike levels all exceeded 80%. This method was successfully applied to the determination of selenium species in fresh egg and cooked eggs.
Electronic, Structural, Mechanical, and Thermodynamic Properties of CoYSb (Y = Cr, Mo, W) Half-Heusler Compounds as Potential Spintronic Materials
Authors: Uto Oghenekevwe Timothy , Adebambo Paul Olufunso , Akinlami Johnson Oluwafemi , Kenmoe Stephane , Adebayo Gboyega Augustine
Published: January 2022

We used density functional theory (DFT) calculations to investigate the structural, electronic, magnetic, mechanical, and thermodynamic properties of CoYSb (Y = Cr, Mo and W) compounds. These are XYZ type half-Heusler alloys, which also exist in the face centred cubic MgAgAs-type structure and conform to F4¯3m space group. We computed these properties in three different atomic arrangements known as Type-I, Type-II, and Type-III phases. In all these phases, the alloys were found to be in the ferromagnetic state. Furthermore, the calculated electronic band structure and the total electronic density of states indicated a metallic behavior in CoWSb, nearly half-metallic behavior in CoMoSb, and half-metallic behavior in CoCrSb, with a minority-spin band gap of 0.81 eV. Furthermore, the calculated mechanical properties predicted an anisotropic behavior of these alloys in their stable phase. Finally, due to its high Debye temperature value, CoCrSb shows stronger covalent bonding than CoMoSb and CoWSb, respectively.
Numerical Investigation of Roof Stability in Longwall Face Developed in Shallow Depth under Weak Geological Conditions
Authors: Mao Pisith , Hashikawa Hiroto , Sasaoka Takashi , Shimada Hideki , Wan Zhijun , Hamanaka Akihiro , Oya Jiro
Published: January 2022

Developing longwall mining under weak geological conditions imposes a substantial challenge with regard to the higher risk of falling roofs. Maintaining the stability of the longwall face in this aforementioned condition is crucial for smooth operation. Investigating roof conditions in longwall requires detailed study of rock behavior in response to a few key influences. This paper presents the outcome of a numerical analysis of roof stability in shallow depth longwall face under weak geological conditions. A series of validated FLAC3D models was developed to examine the roof condition of the longwall face under the influence of shield canopy ratio, shield resistance force, and stress ratio. The results show that these three key factors have a significant impact on longwall roof conditions, which can be used to optimize its stability. Two distinct mechanisms of the roof caving behavior can be observed under the influence of stress ratio. The countermeasures of reducing face-to-tip distance and cutting width are proposed to improve the roof condition of longwall face under weak rock. The outcomes show a substantial improvement in roof conditions after adopting the proposed method.
Urban Housing Inequity: Housing Deprivation and Social Response in the City of Naples
Authors: Galeota Lanza Giovanna , De Martino Mattia
Published: January 2022

The growth of social inequality in recent decades has a strong urban dimension. In fact, cities are places where such inequalities grow quickly, and have a strong influence on the living conditions and perspectives of different social groups. In this sense, urban segregation becomes an important warning in assessing the existence of disparities that affect the most disadvantaged social groups. Therefore, the aim of this research was to outline the evidence of the phenomenon of residential segregation and housing insecurity on a European scale, and to analyze the case study of Naples, Italy, evaluating the presence of the phenomena of urban segregation and housing insecurity within through the creation of a synthetic index: the “Index of housing deprivation in the neighborhoods of the city of Naples”. After analyzing the extent of the phenomena, we took a step further, seeking to understand whether there have been responses from civil society through protest movements. Indeed, another objective of this paper was to understand why, in the city of Naples, there is no strong social response. In order to give an explanation, we will carry out a comparison with the action of the social movements of Barcelona.