bluuebunny/crossref_metadata_2025 huggingface dataset:
Characterization of Al Alloys Injected through Vacuum-Assisted HPDC and Influence of T6 Heat Treatment
Authors: Soares Gonçalo , Neto Rui , Madureira Rui , Soares Rui , Silva José , Silva Rui Pedro , Araújo Luís
Published: February 2023

AlSi12(Fe), AlSi10Mg(Fe), AlSi10MnMg, and AlMg4Fe2 die-casting alloys were produced by high-pressure die casting (HPDC) and vacuum-assisted high-pressure die casting (VADC) under a vacuum level of 200 mbar. The chemical composition, hardness, gas and shrinkage porosity, and mechanical properties were analyzed. The parts under study were subjected to a T6 heat treatment. The VADC led to a decrease in the percentage of defects in the as-cast state for all the alloys, due to a reduction in the amount of gas porosities. After heat treatment, the quantity of gas and shrinkage porosities increased. The efficiency and level of vacuum used were not sufficient to improve the mechanical properties in the as-cast state. The ductility of AlSi10Mg(Fe) and AlSi10MnMg alloys was improved after heat treatment; however, the YS and UTS of AlSi10Mg(Fe) did not increase. The primary aluminum alloys presented higher elongation values than the secondary aluminum alloys due to the reduced amount of the needle-like β-Al5FeSi phase.
Risk of Major Cardiovascular Disease after Exposure to Contrast Media: A Nationwide Population-Based Cohort Study on Dialysis Patients
Authors: Huang Shih-Ting , Yu Tung-Min , Chen Chia-Hsin , Cheng Yun-Chung , Chuang Ya-Wen , Cheng Cheng-Hsu , Liu Jia-Sin , Hsu Chih-Cheng , Wu Ming-Ju
Published: February 2023

Contrast associated kidney injury is caused by side effects of iodinated contrast media (ICM), including inflammation. Chronic inflammation among dialysis patient contributes to atherosclerosis, which leads to simultaneous conditions of the kidney, brain, and vasculature. Data to investigate the pathologic effects of ICM on cardiovascular complications in dialysis patients are lacking. Dialysis patients who had been exposed to ICM from computed tomography (ICM-CT) were allocated as the ICM-CT cohort (N = 3751), whereas dialysis patients without ICM exposure were randomly allocated as the non-ICM cohort (N = 17,196). Furthermore, 540 pairs were selected for analyses through propensity score-matching in terms of age, sex, comorbidities, dialysis vintage, and index date. During a median follow-up of 10.3 years, ICM-CT cohort had significantly higher risks in the following, compared with non-ICM cohort: all-cause mortality (adjusted hazard ratio [aHR], 1.36; 95% confidence interval [CI], 1.26–1.47), cardiovascular events (aHR,1.67; 95% CI, 1.39–2.01), acute coronary syndrome (adjusted HR: 2.92; 95% CI, 1.72–4.94), sudden cardiac arrest (aHR, 1.69; 95% CI, 0.90–3.18), heart failure (aHR, 1.71; 95% CI,1.28–2.27), and stroke (aHR, 1.84; 95% CI,1.45–2.35). The proinflammatory ICM is significantly associated with an increased risk of major cardiovascular events in patients on dialysis.
Plasma Metabolite Signatures in Male Carriers of Genetic Variants Associated with Non-Alcoholic Fatty Liver Disease
Authors: Fernandes Silva Lilian , Vangipurapu Jagadish , Oravilahti Anniina , Männistö Ville , Laakso Markku
Published: February 2023

Both genetic and non-genetic factors are important in the pathophysiology of non-alcoholic fatty liver disease (NAFLD). The aim of our study was to identify novel metabolites and pathways associated with NAFLD by including both genetic and non-genetic factors in statistical analyses. We genotyped six genetic variants in the PNPLA3, TM6SF2, MBOAT7, GCKR, PPP1R3B, and HSD17B13 genes reported to be associated with NAFLD. Non-targeted metabolomic profiling was performed from plasma samples. We applied a previously validated fatty liver index to identify participants with NAFLD. First, we associated the six genetic variants with 1098 metabolites in 2 339 men without NAFLD to determine the effects of the genetic variants on metabolites, and then in 2 535 men with NAFLD to determine the joint effects of genetic variants and non-genetic factors on metabolites. We identified several novel metabolites and metabolic pathways, especially for PNPLA3, GCKR, and PPP1R38 variants relevant to the pathophysiology of NAFLD. Importantly, we showed that each genetic variant for NAFLD had a specific metabolite signature. The plasma metabolite signature was unique for each genetic variant, suggesting that several metabolites and different pathways are involved in the risk of NAFLD. The FLI index reliably identifies metabolites for NAFLD in large population-based studies.
Crucial Regulatory Role of Organokines in Relation to Metabolic Changes in Non-Diabetic Obesity
Authors: Lőrincz Hajnalka , Somodi Sándor , Ratku Balázs , Harangi Mariann , Paragh György
Published: February 2023

Obesity is characterized by an excessive accumulation of fat leading to a plethora of medical complications, including coronary artery disease, hypertension, type 2 diabetes mellitus or impaired glucose tolerance and dyslipidemia. Formerly, several physiological roles of organokines, including adipokines, hepatokines, myokines and gut hormones have been described in obesity, especially in the regulation of glucose and lipid metabolism, insulin sensitivity, oxidative stress, and low-grade inflammation. The canonical effect of these biologically active peptides and proteins may serve as an intermediate regulatory level that connects the central nervous system and the endocrine, autocrine, and paracrine actions of organs responsible for metabolic and inflammatory processes. Better understanding of the function of this delicately tuned network may provide an explanation for the wide range of obesity phenotypes with remarkable inter-individual differences regarding comorbidities and therapeutic responses. The aim of this review is to demonstrate the role of organokines in the lipid and glucose metabolism focusing on the obese non-diabetic subgroup. We also discuss the latest findings about sarcopenic obesity, which has recently become one of the most relevant metabolic disturbances in the aging population.
Gut Microbiota and Metabolome Changes in Three Pulmonary Hypertension Rat Models
Authors: Luo Lingjie , Yin Haoyang , Gou Deming
Published: February 2023

Dysbiosis of the gut microbiota and metabolites is found in both pulmonary hypertension patients and pulmonary hypertension rodent models. However, the exact changes in gut microbiota during the development of pulmonary hypertension is unclear. The function of the gut microbiota is also ambiguous. Here, this study showed that the gut microbiota was disrupted in rats with hypoxia (Hyp)-, hypoxia/Sugen5416 (HySu)-, and monocrotaline (MCT)-induced pulmonary hypertension. The gut microbiota is dynamically changed during the development of Hyp-, HySu-, and MCT-induced rat pulmonary hypertension. The variation in the α diversity of the gut microbiota in Hyp-induced pulmonary hypertension rats was similar to that in rats with MCT-induced pulmonary hypertension and different from that in rats with HySu-induced pulmonary hypertension. In addition, six plasma biomarkers, His, Ala, Ser, ADMA, 2-hydroxybutyric acid, and cystathionine, were identified in Hyp-induced pulmonary hypertension rats. Furthermore, a disease-associated network connecting Streptococcus with Hyp-induced pulmonary hypertension-associated metabolites was described here, including trimethylamine N-oxide, Asp, Asn, Lys, His, Ser, Pro, and Ile.
Assessment of Gold-Bearing Quartz Vein as a Potential High-Purity Quartz Resource: Evidence from Mineralogy, Geochemistry, and Technological Purification
Authors: Xia Mei , Sun Chao , Yang Xiaoyong , Chen Jian
Published: February 2023

High-purity quartz (HPQ) is an important material widely used in many high-tech industries. It is a product processed from pure natural quartz raw materials, so selecting suitable quartz raw material is the key to successfully processing HPQ. Hydrothermal quartz vein is one of the most likely raw materials to be purified into HPQ because of its high SiO2 content. This study focuses on the evaluation of HPQ raw material potential of the two gold-bearing quartz vein tailing resources in Chibougamau (CBG) and Tianjingshan (TJS). Petrography and the contents of impurity elements in the two vein quartz samples before and after processing were studied by optical microscope, SEM, Raman spectrometry, XRD, LA-ICP-MS, and bulk solution ICP-OES. Petrographic results reveal that major impurities in quartz are feldspar, mica, iron compounds, ankerite, rutile, silicate melt, and fluid inclusions. LA-ICP-MS analysis result shows that the SiO2 contents are between 99.953–99.971 wt.% in CBG raw quartz and 99.969–99.976 wt.% in TJS raw quartz, respectively, with very low contents of impurity elements, except for Ca. Bulk solution ICP-OES analysis demonstrates that the CBG processed quartz sand has total impurity contents of 56.8 µg·g−1, with 13.1 µg·g−1 Al and 6.6 µg·g−1 Ti, and the TJS processed quartz sand has the total impurity contents of 85.2 µg·g−1 with 29.4 µg·g−1 Al and 6.1 µg·g−1 Ti. Both the contents of Al and Ti fit with the lattice-bound criteria for HPQ. These results, for most of the impurities, are likely hosted by silicate melt, fluid, and mineral inclusions, indicating that these two hydrothermal raw vein quartz samples can be upgraded to HPQ after processing by more advanced methods. Therefore, the CBG and TJS quartz vein deposits would be considered as potential future resources for HPQ to realize efficient recovery and utilization of tailings resources and to improve mine economic benefits.
Theoretical Study on the Copper-Catalyzed ortho-Selective C-H Functionalization of Naphthols with α-Phenyl-α-Diazoesters
Authors: Zhu Xiaoli , Liu Xunshen , Xia Fei , Liu Lu
Published: February 2023

The aromatic C(sp2)-H functionalization of unprotected naphthols with α-phenyl-α-diazoesters under mild conditions catalyzed by CuCl and CuCl2 exhibits high efficiency and unique ortho-selectivity. In this study, the combination of density functional theory (DFT) calculations and experiments is employed to investigate the mechanism of C-H functionalization, which reveals the fundamental origin of the site-selectivity. It explains that CuCl-catalyzed ortho-selective C-H functionlization is due to the bimetallic carbene, which differs from the reaction catalyzed by CuCl2 via monometallic carbene. The results demonstrate the function of favourable H-bond interactions on the site- and chemo-selectivity of reaction through stabilizing the rate-determining transition states in proton (1,3)-migration.
Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies
Authors: AbdElmoniem Nihal , H. Abdallah Marwa , M. Mukhtar Rua , Moutasim Fatima , Rafie Ahmed Ahmed , Edris Alaa , Ibraheem Walaa , Makki Alaa A. , M. Elshamly Eman , Elhag Rashid , Osman Wadah , A. Mothana Ramzi , Alzain Abdulrahim A.
Published: February 2023

Breast cancer (BC) is one of the main types of cancer that endangers women’s lives. The characteristics of triple-negative breast cancer (TNBC) include a high rate of recurrence and the capacity for metastasis; therefore, new therapies are urgently needed to combat TNBC. Dual targeting HDAC6 and Hsp90 has shown good synergistic effects in treating metastatic TNBC. The goal of this study was to find potential HDAC6 and Hsp90 dual inhibitors. Therefore, several in silico approaches have been used. An e-pharmacophore model generation based on the HDAC6-ligand complex and subsequently a pharmacophore-based virtual screening on 270,450 natural compounds from the ZINC were performed, which resulted in 12,663 compounds that corresponded to the obtained pharmacophoric hypothesis. These compounds were docked into HDAC6 and Hsp90. This resulted in the identification of three compounds with good docking scores and favorable free binding energy against the two targets. The top three compounds, namely ZINC000096116556, ZINC000020761262, and ZINC000217668954, were further subjected to ADME prediction and molecular dynamic simulations, which showed promising results in terms of pharmacokinetic properties and stability. As a result, these three compounds can be considered potential HDAC6 and Hsp90 dual inhibitors and are recommended for experimental evaluation.
Modeling Adsorption of CO2 in Rutile Metallic Oxide Surfaces: Implications in CO2 Catalysis
Authors: Chávez-Rocha Rogelio , Mercado-Sánchez Itzel , Vargas-Rodriguez Ismael , Hernández-Lima Joseelyne , Bazán-Jiménez Adán , Robles Juvencio , García-Revilla Marco A.
Published: February 2023

CO2 is the most abundant greenhouse gas, and for this reason, it is the main target for finding solutions to climatic change. A strategy of environmental remediation is the transformation of CO2 to an aggregated value product to generate a carbon-neutral cycle. CO2 reduction is a great challenge because of the large C=O dissociation energy, ~179 kcal/mol. Heterogeneous photocatalysis is a strategy to address this issue, where the adsorption process is the fundamental step. The focus of this work is the role of adsorption in CO2 reduction by means of modeling the CO2 adsorption in rutile metallic oxides (TiO2, GeO2, SnO2, IrO2 and PbO2) using Density Functional Theory (DFT) and periodic DFT methods. The comparison of adsorption on different metal oxides forming the same type of crystal structure allowed us to observe the influence of the metal in the adsorption process. In the same way, we performed a comparison of the adsorption capability between two different surface planes, (001) and (110). Two CO2 configurations were observed, linear and folded: the folded conformations were observed in TiO2, GeO2 and SnO2, while the linear conformations were present in IrO2 and PbO2. The largest adsorption efficiency was displayed by the (001) surface planes. The CO2 linear and folded configurations were related to the interaction of the oxygen on the metallic surface with the adsorbate carbon, and the linear conformations were associated with the physisorption and folded configurations with chemisorption. TiO2 was the material with the best performance for CO2 interactions during the adsorption.
Color, Antioxidant Capacity and Flavonoid Composition in Hibiscus rosa-sinensis Cultivars
Authors: Mejía Jesica J. , Sierra Lady J. , Ceballos José G. , Martínez Jairo R. , Stashenko Elena E.
Published: February 2023

Hibiscus rosa-sinensis plants are mainly cultivated as ornamental plants, but they also have food and medicinal uses. In this work, 16 H. rosa-sinensis cultivars were studied to measure their colorimetric parameters and the chemical composition of hydroethanolic extracts obtained from their petals. These extracts were characterized using UHPLC-ESI+-Obitrap-MS, and their antioxidant activity was evaluated using the ORAC assay. The identified flavonoids included anthocyanins derived from cyanidin, glycosylated flavonols derived from quercetin and kaempferol, and flavan-3-ols such as catechin and epicatechin. Cyanidin-sophoroside was the anthocyanin present in extracts of lilac, pink, orange, and red flowers, but was not detected in extracts of white or yellow flowers. The total flavonol concentration in the flower extracts was inversely proportional to the total anthocyanin content. The flavonol concentration varied according to the cultivar in the following order: red < pink < orange < yellow ≈ white, with the extract from the red flower presenting the lowest flavonol concentration and the highest anthocyanin concentration. The antioxidant activity increased in proportion to the anthocyanin concentration, from 1580 µmol Trolox®/g sample (white cultivar) to 3840 µmol Trolox®/g sample (red cultivar).
Complete, Theoretical Rovibronic Spectral Characterization of the Carbon Monoxide, Water, and Formaldehyde Cations
Authors: Davis Megan C. , Huang Xinchuan , Fortenberry Ryan C.
Published: February 2023

New high-level ab initio quartic force field (QFF) methods are explored which provide spectroscopic data for the electronically excited states of the carbon monoxide, water, and formaldehyde cations, sentinel species for expanded, recent cometary spectral analysis. QFFs based on equation-of-motion ionization potential (EOM-IP) with a complete basis set extrapolation and core correlation corrections provide assignment for the fundamental vibrational frequencies of the A˜2B1 and B˜2A1 states of the formaldehyde cation; only three of these frequencies have experimental assignment available. Rotational constants corresponding to these vibrational excitations are also provided for the first time for all electronically excited states of both of these molecules. EOM-IP-CCSDT/CcC computations support tentative re-assignment of the ν1 and ν3 frequencies of the B˜2B2 state of the water cation to approximately 2409.3 cm−1 and 1785.7 cm−1, respectively, due to significant disagreement between experimental assignment and all levels of theory computed herein, as well as work by previous authors. The EOM-IP-CCSDT/CcC QFF achieves agreement to within 12 cm−1 for the fundamental vibrational frequencies of the electronic ground state of the water cation compared to experimental values and to the high-level theoretical benchmarks for variationally-accessible states. Less costly EOM-IP based approaches are also explored using approximate triples coupled cluster methods, as well as electronically excited state QFFs based on EOM-CC3 and the previous (T)+EOM approach. The novel data, including vibrationally corrected rotational constants for all states studied herein, provided by these computations should be useful in clarifying comet evolution or other remote sensing applications in addition to fundamental spectroscopy.
Molecular Simulation Study on the Aging Mechanism of NEPE Propellant Matrix
Authors: Kong Lingze , Dong Kehai , Tang Yanhui , Yang Chuanlu , Xiao Yundong
Published: February 2023

Polyethylene glycols (PEG) and toluene diisocyanate (TDI) are often used as the main components of binders and curing agents in solid propellants, and their aging is an important issue in the storage and use of propellants. To study the aging behavior and aging mechanism of nitrate ester plasticized polyether propellant (NEPE) matrix during storage, the transition states of aging reactions of binder and curing agent were optimized at the (U)B3LYP/6-311G(d,p) level of theory, and the rate coefficients over the temperature range of 298–1000 K were calculated by CVT theory. The results showed that there were five kinds of aging reactions for binder, which included decomposition, nitration, H abstraction, oxidation, and crosslinking reactions. Among them, theenergy barriers of oxidation and H abstraction reactions were relatively low (79.3–91.2 kJ·mol−1) and the main reaction types of binder aging. The main aging reaction of curing agent was decomposition. Compared with the aging reactions of binder, the energy barriers of curing agent are higher (196.6–282.7 kJ·mol−1) and the reaction is more difficult to occur. By comparing the energy barriers and rate constants of different reactions, it is found that the aging of NEPE propellant matrix can be divided into two stages. In the first stage, the propellant matrix mainly undergoes H abstraction and oxidation reaction, and as the reaction proceeds, the products crosslink to form -O-O-, -C-C-, and -C-O-C- bonds. At this time, the long chain molecules of the propellant matrix crosslink, and the molecular weight increases. This stage corresponds to the rising stage of mechanical properties in the aging process of the propellant. In the second stage, the propellant matrix mainly undergoes decomposition and nitration, resulting in degradation, the reduction of molecular weights, and the appearance of holes and microcracks in the matrix. This stage corresponds to the decline of mechanical properties in the aging process of the propellant. The above simulation results are in good agreement with the aging experimental phenomena, revealing the microscopic mechanism of the changes in the macroscopic properties of NEPE propellant during the aging process, and providing a theoretical basis for the related research on the aging properties and anti-aging technology of NEPE propellant.
A Nonlinear Nonlocal Thermoelasticity Euler–Bernoulli Beam Theory and Its Application to Single-Walled Carbon Nanotubes
Authors: Huang Kun , Xu Wei
Published: February 2023

Although small-scale effect or thermal stress significantly impact the mechanical properties of nanobeams, their combined effects and the temperature dependence of the elastic parameters have yet to attract the attention of researchers. In the present paper, we propose a new nonlocal nonlinear Euler–Bernoulli theory to model the mechanical properties of nanobeams. We considered the small-scale effect, thermal stress, and the temperature dependence of Young’s modulus. A single-walled carbon nanotube (SWCNT) was used to demonstrate the influence of the three factors on elastic buckling and forced bending vibrations. The results indicate that thermal stress and the temperature dependence of Young’s modulus have a remarkable influence on the mechanical properties of slender SWCNTs as compared to the small-scale effect induced by the nonlocal effect. Ignoring the temperature effect of slender SWCNTs may cause qualitative mistakes.
Robust and Fragile Majorana Bound States in Proximitized Topological Insulator Nanoribbons
Authors: Heffels Dennis , Burke Declan , Connolly Malcolm R. , Schüffelgen Peter , Grützmacher Detlev , Moors Kristof
Published: February 2023

Topological insulator (TI) nanoribbons with proximity-induced superconductivity are a promising platform for Majorana bound states (MBSs). In this work, we consider a detailed modeling approach for a TI nanoribbon in contact with a superconductor via its top surface, which induces a superconducting gap in its surface-state spectrum. The system displays a rich phase diagram with different numbers of end-localized MBSs as a function of chemical potential and magnetic flux piercing the cross section of the ribbon. These MBSs can be robust or fragile upon consideration of electrostatic disorder. We simulate a tunneling spectroscopy setup to probe the different topological phases of top-proximitized TI nanoribbons. Our simulation results indicate that a top-proximitized TI nanoribbon is ideally suited for realizing fully gapped topological superconductivity, in particular when the Fermi level is pinned near the Dirac point. In this regime, the setup yields a single pair of MBSs, well separated at opposite ends of the proximitized ribbon, which gives rise to a robust quantized zero-bias conductance peak.
Effects of Structure and Composition of Adsorbents on Competitive Adsorption of Gaseous Emissions: Experiment and Modeling
Authors: Verner Adam , Tokarský Jonáš , Najser Tomáš , Matějová Lenka , Kutláková Kateřina Mamulová , Kielar Jan , Peer Václav
Published: February 2023

Dangerous gases arising from combustion processes must be removed from the air simply and cheaply, e.g., by adsorption. This work is focused on competitive adsorption experiments and force field-based molecular modeling of the interactions at the molecular level. Emission gas, containing CO, NO, SO2, and CO2, was adsorbed on activated carbon, clay mineral, silicon dioxide, cellulose, or polypropylene at two different temperatures. At 20 °C, activated carbon had the highest NO and SO2 adsorption capacity (120.83 and 3549.61 μg/g, respectively). At 110 °C, the highest NO and SO2 adsorption capacity (6.20 and 1182.46 μg/g, respectively) was observed for clay. CO was adsorbed very weakly, CO2 not at all. SO2 was adsorbed better than NO, which correlated with modeling results showing positive influence of carboxyl and hydroxyl functional groups on the adsorption. In addition to the wide range of adsorbents, the main novelty of this study is the modeling strategy enabling the simulation of surfaces with pores of controllable sizes and shapes, and the agreement of the results achieved by this strategy with the results obtained by more computationally demanding methods. Moreover, the agreement with experimental data shows the modeling strategy to be a valuable tool for further adsorption studies.
Nausea and Vomiting during Early Pregnancy among Chinese Women and Its Association with Nutritional Intakes
Authors: Zhu Shujing , Zhao Ai , Lan Hanglian , Li Pin , Mao Shuai , Szeto Ignatius Man-Yau , Jiang Hua , Zhang Yumei
Published: February 2023

Nausea and vomiting in pregnancy (NVP) is one of the most common uncomfortable symptoms of women in early pregnancy. A total of 303 Chinese pregnant women from 10 urban cities in their first trimester were recruited in this study to collect their sociodemographic characteristics and their NVP occurrence. Their dietary nutrient and food intakes were also collected by a 24 h dietary recall and a semi-quantitative food frequency questionnaire (SFFQ). Using the univariate analysis and multiple linear regression analysis to estimate the correlation between NVP and dietary intake, we found that 255 (84.1%) pregnant women experienced NVP during their first trimester. The intake of energy, protein, fat, vitamin A, thiamin, riboflavin, vitamin E, phosphorus, potassium, iron and zinc was lower in women with NVP than in those with no NVP. Additionally, women with NVP were more likely to have insufficient intake of protein, riboflavin, calcium, phosphorus and selenium. In terms of specific food groups, the average daily intake of mushrooms, algae, nuts and seeds, meat, eggs and dairy products in the NVP group was lower. Women in the severe NVP group even had insufficient gestational weight gain. We should pay more attention to women who experience nausea and vomiting during pregnancy and provide them with targeted nutritional support.
Abalone Viscera Fermented with Aspergillus oryzae 001 Prevents Pressure Elevation by Inhibiting Angiotensin Converting Enzyme
Authors: Iwamoto Natsumi , Sasaki Asahi , Maizawa Tomoaki , Hamada-Sato Naoko
Published: February 2023

Abalone viscera, which accounts for more than 20% of the total weight of abalone, is generally regarded as waste in the food industry, and effective methods are required to utilize it productively. In this study, the viscera were fermented with Aspergillus oryzae 001 to add functionality. Fermented abalone viscera exhibited increased angiotensin I-converting enzyme (ACE) inhibitory activity and enhanced inhibition of blood pressure elevation in spontaneously hypertensive rats (SHRs). Abalone viscera administration had no significant effect on body weight, food intake, liver and kidney weights, or serum components in SHRs. ACE inhibitors specific to fermented abalone viscera were identified through extraction, fractionation, purification, and analysis. The identified substance was L-m-tyrosine, which non-competitively inhibited ACE and, in a single oral administration, significantly reduced blood pressure in SHRs compared to that in the control. This study identified that abalone viscera fermented by A. oryzae 001 has an inhibitory effect on blood pressure elevation, suggesting its potential use as a functional food. In addition, L-m-tyrosine, a unique substance in fermented abalone viscera, was isolated for the first time as a single ACE-inhibitory amino acid.
Paramedic Education to Support the Use of Low-Acuity Care Pathways: A Scoping Review Protocol
Authors: Carnicelli Anthony , Edwards Dale G. , Williams Anne-Marie
Published: February 2023

Ambulance services worldwide have transformed over time into health care services that not only attend to life-threatening emergencies, but are also increasingly being utilised for patients with low-acuity or non-urgent illness and injury. As a result, there has been a need to adapt and include mechanisms to assist paramedics in the assessment and management of such patients, including alternative pathways of care. However, it has been identified that education and training for paramedics in the care of low-acuity patients is limited. This study aims to identify potential gaps in the literature and inform further research, paramedic education and training, patient care guidelines, and policy. A scoping review will be conducted utilising the Joanna Briggs Institutes methodology. A range of relevant electronic databases will be searched along with the grey literature, using search terms related to paramedic education for low-acuity patient care pathways. The search results will be screened by two authors and presented in the PRISMA-ScR format, with articles presented in tabular format and analysed thematically. The results of this scoping review will inform further research exploring paramedic education, clinical guidelines, policy and experiences in the management of low-acuity patients.
Proof of Concept of a Novel Multiepitope Recombinant Protein for the Serodiagnosis of Patients with Chagas Disease
Authors: Machado Juliana Martins , Pereira Isabela Amorim Gonçalves , Maia Ana Clara Gontijo , Francisco Mariana Ferraz Chaves , Nogueira Lais Moreira , Gandra Isadora Braga , Ribeiro Anna Julia , Silva Kamila Alves , Resende Carlos Ananias Aparecido , da Silva Jonatas Oliveira , dos Santos Michelli , Gonçalves Ana Alice Maia , Tavares Grasiele de Sousa Vieira , Chávez-Fumagalli Miguel Angel , Campos-da-Paz Mariana , Giunchetti Rodolfo Cordeiro , Rocha Manoel Otávio da Costa , Chaves Ana Thereza , Coelho Eduardo Antônio Ferraz , Galdino Alexsandro Sobreira
Published: February 2023

Chagas disease remains a neglected disease that is considered to be a public health problem. The early diagnosis of cases is important to improve the prognosis of infected patients and prevent transmission. Serological tests are the method of choice for diagnosis. However, two serological tests are currently recommended to confirm positive cases. In this sense, more sensitive and specific serological tests need to be developed to overcome these current diagnosis problems. This study aimed to develop a new recombinant multiepitope protein for the diagnosis of Chagas disease, hereafter named rTC. The rTC was constructed based on amino acid sequences from different combinations of Trypanosoma cruzi antigens in the same polypeptide and tested using an enzyme-linked immunosorbent assay (ELISA) to detect different types of Chagas disease. rTC was able to discriminate between indeterminate (IND) and cardiac (CARD) cases and cross-reactive diseases, as well as healthy samples, with 98.28% sensitivity and 96.67% specificity, respectively. These data suggest that rTC has the potential to be tested in future studies against a larger serological panel for the diagnosis of Chagas disease.
Altered Membrane Expression and Function of CD11b Play a Role in the Immunosuppressive Effects of Morphine on Macrophages at the Nanomolar Level
Authors: Yu Peng-Cheng , Hao Cui-Yun , Fan Ying-Zhe , Liu Di , Qiao Yi-Fan , Yao Jia-Bao , Li Chang-Zhu , Yu Ye
Published: February 2023

Morphine, one of the most efficacious analgesics, is effective in severe pain, especially in patients with concomitant painful cancers. The clinical use of morphine may be accompanied by increased immunosuppression, susceptibility to infection and postoperative tumor metastatic recurrence, and the specific mechanisms and clinical strategies to alleviate this suppression remain to be investigated. Expression of CD11b is closely associated with the macrophage phagocytosis of xenobiotic particles, bacteria or tumor cells. Here, we find that morphine at 0.1–10 nM levels inhibited CD11b expression and function on macrophages via a μ-opioid receptor (MOR)-dependent mechanism, thereby reducing macrophage phagocytosis of tumor cells, a process that can be reversed by thymopentin (TP5), a commonly used immune-enhancing adjuvant in clinical practice. By knocking down or overexpressing MOR on macrophages and using naloxone, an antagonist of the MOR receptor, and LA1, a molecule that promotes macrophage CD11b activation, we suggest that morphine may regulate macrophage phagocytosis by inhibiting the surface expression and function of macrophage CD11b through the membrane expression and activation of MOR. The CD47/SIRPα axis, which is engaged in macrophage-tumor immune escape, was not significantly affected by morphine. Notably, TP5, when combined with morphine, reversed the inhibition of macrophage phagocytosis by morphine through mechanisms that promote membrane expression of CD11b and modulate its downstream signaling (e.g., NOS2, IFNG, IL1B and TNFA, as well as AGR1, PDGFB, IL6, STAT3, and MYC). Thus, altered membrane expression and function of CD11b may mediate the inhibition of macrophage phagocytosis by therapeutic doses of morphine, and the reversal of this process by TP5 may provide an effective palliative option for clinical immunosuppression by morphine.
Application of Design of Experiments in the Development of Self-Microemulsifying Drug Delivery Systems
Authors: Hsieh Chien-Ming , Yang Ting-Lun , Putri Athika Darumas , Chen Chin-Tin
Published: February 2023

Oral delivery has become the route of choice among all other types of drug administrations. However, typical chronic disease drugs are often poorly water-soluble, have low dissolution rates, and undergo first-pass metabolism, ultimately leading to low bioavailability and lack of efficacy. The lipid-based formulation offers tremendous benefits of using versatile excipients and has great compatibility with all types of dosage forms. Self-microemulsifying drug delivery system (SMEDDS) promotes drug self-emulsification in a combination of oil, surfactant, and co-surfactant, thereby facilitating better drug solubility and absorption. The feasible preparation of SMEDDS creates a promising strategy to improve the drawbacks of lipophilic drugs administered orally. Selecting a decent mixing among these components is, therefore, of importance for successful SMEDDS. Quality by Design (QbD) brings a systematic approach to drug development, and it offers promise to significantly improve the manufacturing quality performance of SMEDDS. Furthermore, it could be benefited efficiently by conducting pre-formulation studies integrated with the statistical design of experiment (DoE). In this review, we highlight the recent findings for the development of microemulsions and SMEDDS by using DoE methods to optimize the formulations for drugs in different excipients with controllable ratios. A brief overview of DoE concepts is discussed, along with its technical benefits in improving SMEDDS formulations.
Copper(II) Chelates of Schiff Bases Enriched with Aliphatic Fragments: Synthesis, Crystal Structure, In Silico Studies of ADMET Properties and a Potency against a Series of SARS-CoV-2 Proteins
Authors: Panova Elizaveta V. , Voronina Julia K. , Safin Damir A.
Published: February 2023

We report two complexes [Cu(LI)2] (1) and [Cu(LII)2] (2) (HLI = N-cyclohexyl-3-methoxysalicylideneimine, HLII = N-cyclohexyl-3-ethoxysalicylideneimine). The ligands in both complexes are trans-1,5-N,O-coordinated, yielding a square planar CuN2O2 coordination core. The molecule of 1 is planar with two cyclohexyl groups oriented to the opposite sites of the planar part of a molecule, while the molecule of 2 is significantly bent with two cyclohexyl groups oriented to the same convex site of a molecule. It was established that both complexes in MeOH absorb in the UV region due to intraligand transitions and LMCT. Furthermore, the UV-vis spectra of both complexes revealed two low intense shoulders in the visible region at about 460 and 520 nm, which were attributed to d–d transitions. Both complexes were predicted to belong to a fourth class of toxicity with the negative BBB property and positive gastrointestinal absorption property. According to the molecular docking analysis results, both complexes are active against all the applied SARS-CoV-2 proteins with the best binding affinity with Nsp 14 (N7-MTase), PLpro and Mpro. The obtained docking scores of complexes are either comparable to or even higher than those of the initial ligands. Complex 1 was found to be more efficient upon interaction with the applied proteins in comparison to complex 2. Ligand efficiency scores for the initial ligands, 1 and 2 were also revealed.
The Antidepressant-like Activity and Cognitive Enhancing Effects of the Combined Administration of (R)-Ketamine and LY341495 in the CUMS Model of Depression in Mice Are Related to the Modulation of Excitatory Synaptic Transmission and LTP in the PFC
Authors: Pałucha-Poniewiera Agnieszka , Bobula Bartosz , Rafało-Ulińska Anna
Published: February 2023

(S)-Ketamine is the first rapid-acting antidepressant drug (RAAD) introduced for the treatment of depression. However, research is still being carried out on the search for further RAADs that will be not only effective but also safe to use. Recent data have indicated that the combined administration of (R)-ketamine and the mGlu2/3 receptor antagonist LY341495 (mixRL) induces rapid and sustained effects in the chronic unpredictable mild stress (CUMS) model of depression in mice, and the use of this drug combination is associated with a low risk of undesirable effects. Considering the possible influence of stress on cortical plasticity and, on the other hand, the role of this plasticity in the mechanism of action of ketamine, we decided to investigate whether mixed RL affects synaptic plasticity in the prefrontal cortex (PFC) in the CUMS model of depression using electrophysiological techniques and explore whether these effects are related to memory impairments. Using behavioral methods, we found that a single administration of mixRL reversed CUMS-induced PFC-dependent memory deficits and alleviated depression-like effects induced by CUMS. In turn, electrophysiological experiments indicated that the amplitude of field potentials as well as paired-pulse responses in CUMS mice were increased, and mixRL was found to reverse these effects. Additionally, the magnitude of long-term potentiation (LTP) was reduced in CUMS mice, and mixRL was shown to restore this parameter. In summary, mixRL appeared to exert its antidepressant effects and cognitive enhancing effects in a mouse model of depression, at least in part, by mechanisms involving modulation of glutamatergic transmission and LTP in the PFC.
Analytical Techniques for the Characterization and Quantification of Monoclonal Antibodies
Authors: Alhazmi Hassan A. , Albratty Mohammed
Published: February 2023

Monoclonal antibodies (mAbs) are a fast-growing class of biopharmaceuticals. They are widely used in the identification and detection of cell makers, serum analytes, and pathogenic agents, and are remarkably used for the cure of autoimmune diseases, infectious diseases, or malignancies. The successful application of therapeutic mAbs is based on their ability to precisely interact with their appropriate target sites. The precision of mAbs rely on the isolation techniques delivering pure, consistent, stable, and safe lots that can be used for analytical, diagnostic, or therapeutic applications. During the creation of a biologic, the key quality features of a particular mAb, such as structure, post-translational modifications, and activities at the biomolecular and cellular levels, must be characterized and profiled in great detail. This implies the requirement of powerful state of the art analytical techniques for quality control and characterization of mAbs. Until now, various analytical techniques have been developed to characterize and quantify the mAbs according to the regulatory guidelines. The present review summarizes the major techniques used for the analyses of mAbs which include chromatographic, electrophoretic, spectroscopic, and electrochemical methods in addition to the modifications in these methods for improving the quality of mAbs. This compilation of major analytical techniques will help students and researchers to have an overview of the methodologies employed by the biopharmaceutical industry for structural characterization of mAbs for eventual release of therapeutics in the drug market.
Local Drug Delivery Strategies towards Wound Healing
Authors: Tiwari Ruchi , Pathak Kamla
Published: February 2023

A particular biological process known as wound healing is connected to the overall phenomena of growth and tissue regeneration. Several cellular and matrix elements work together to restore the integrity of injured tissue. The goal of the present review paper focused on the physiology of wound healing, medications used to treat wound healing, and local drug delivery systems for possible skin wound therapy. The capacity of the skin to heal a wound is the result of a highly intricate process that involves several different processes, such as vascular response, blood coagulation, fibrin network creation, re-epithelialisation, collagen maturation, and connective tissue remodelling. Wound healing may be controlled with topical antiseptics, topical antibiotics, herbal remedies, and cellular initiators. In order to effectively eradicate infections and shorten the healing process, contemporary antimicrobial treatments that include antibiotics or antiseptics must be investigated. A variety of delivery systems were described, including innovative delivery systems, hydrogels, microspheres, gold and silver nanoparticles, vesicles, emulsifying systems, nanofibres, artificial dressings, three-dimensional printed skin replacements, dendrimers and carbon nanotubes. It may be inferred that enhanced local delivery methods might be used to provide wound healing agents for faster healing of skin wounds.
Curcumin a Natural Phenol and Its Therapeutic Role in Cancer and Photodynamic Therapy: A Review
Authors: Kah Glory , Chandran Rahul , Abrahamse Heidi
Published: February 2023

Cancer continues to cause an alarming number of deaths globally, and its burden on the health system is significant. Though different conventional therapeutic procedures are exploited for cancer treatment, the prevalence and death rates remain elevated. These, therefore, insinuate that novel and more efficient treatment procedures are needed for cancer. Curcumin, a bioactive, natural, phenolic compound isolated from the rhizome of the herbaceous plant turmeric, is receiving great interest for its exciting and broad pharmacological properties. Curcumin presents anticancer therapeutic capacities and can be utilized as a photosensitizing drug in cancer photodynamic therapy (PDT). Nonetheless, curcumin′s poor bioavailability and related pharmacokinetics limit its clinical utility in cancer treatment. This review looks at the physical and chemical properties, bioavailability, and safety of curcumin, while focusing on curcumin as an agent in cancer therapy and as a photosensitizer in cancer PDT. The possible mechanisms and cellular targets of curcumin in cancer therapy and PDT are highlighted. Furthermore, recent improvements in curcumin’s bioavailability in cancer therapy using nanoformulations and delivery systems are presented.
Working Mechanism and Progress of Electromagnetic Metamaterial Perfect Absorber
Authors: Liu Xiajun , Xia Feng , Wang Mei , Liang Jian , Yun Maojin
Published: February 2023

Electromagnetic metamaterials are artificial subwavelength composites with periodic structures, which can interact strongly with the incident light to achieve effective control of the light field. Metamaterial absorbers can achieve nearly 100% perfect absorption of incident light at a specific frequency, so they are widely used in sensors, optical switches, communication, and other fields. Based on the development history of metamaterials, this paper discusses the research background and significance of metamaterial perfect absorbers. Some perfect absorption mechanisms, such as impedance matching and coherent perfect absorption, are discussed. According to the functional division, the narrowband, dual frequency, multi-frequency, broadband, and tunable metamaterial perfect absorbers are briefly described.
Use of Natural Agents and Agrifood Wastes for the Treatment of Skin Photoaging
Authors: Parisi Melania , Verrillo Mariavittoria , Luciano Maria Antonietta , Caiazzo Giuseppina , Quaranta Maria , Scognamiglio Francesco , Di Meo Vincenzo , Villani Alessia , Cantelli Mariateresa , Gallo Lucia , Altobelli Giovanna G. , Poggi Serena , Spaccini Riccardo , Fabbrocini Gabriella
Published: February 2023

Photoaging is the premature aging of the skin caused by repeated exposure to ultraviolet (UV) rays. The harmful effects of UV rays—from the sun or from artificial sources—alter normal skin structures and cause visible damage, especially in the most exposed areas. Fighting premature aging is one of the most important challenges of the medical landscape. Additionally, consumers are looking for care products that offer multiple benefits with reduced environmental and economic impact. The growing requests for bioactive compounds from aromatic plants for pharmaceutical and cosmetic applications have to find new sustainable methods to increase the effectiveness of new active formulations derived from eco-compatible technologies. The principle of sustainable practices and the circular economy favor the use of bioactive components derived from recycled biomass. The guidelines of the European Commission support the reuse of various types of organic biomass and organic waste, thus transforming waste management problems into economic opportunities. This review aims to elucidate the main mechanisms of photoaging and how these can be managed using natural renewable sources and specific bioactive derivatives, such as humic extracts from recycled organic biomass, as potential new actors in modern medicine.
Geographical Parthenogenesis in Alpine and Arctic Plants
Authors: Hörandl Elvira
Published: February 2023

The term “Geographical parthenogenesis” describes the phenomenon that asexual organisms usually occupy larger and more northern distribution areas than their sexual relatives, and tend to colonize previously glaciated areas. Several case studies on alpine and arctic plants confirm the geographical pattern, but the causal factors behind the phenomenon are still unclear. Research of the last decade in several plant families has shed light on the question and evaluated some of the classical evolutionary theories. Results confirmed, in general, that the advantages of uniparental reproduction enable apomictic plants to re-colonize faster in larger and more northern distribution areas. Associated factors like polyploidy seem to contribute mainly to the spatial separation of sexual and asexual cytotypes. Ecological studies suggest a better tolerance of apomicts to colder climates and temperate extremes, whereby epigenetic flexibility and phenotypic plasticity play an important role in occupying ecological niches under harsh conditions. Genotypic diversity appears to be of lesser importance for the distributional success of asexual plants. Classical evolutionary theories like a reduced pressure of biotic interactions in colder climates and hence an advantage to asexuals (Red Queen hypothesis) did not gain support from studies on plants. However, it is also still enigmatic why sexual outcrossing remains the predominant mode of reproduction also in alpine floras. Constraints for the origin of apomixis might play a role. Interestingly, some studies suggest an association of sexuality with abiotic stresses. Light stress in high elevations might explain why most alpine plants retain sexual reproduction despite other environmental factors that would favor apomixis. Directions for future research will be given.
Spicy and Aromatic Plants
Authors: Marc Romina A. , Mureșan Crina C. , Mureșan Andruța E.
Published: February 2023

The purpose of this Special Issue entitled “Spicy and Aromatic Plants” is to expand our knowledge about edible plants, which have been used for thousands of years, by all the peoples of the world, in every household [...]