bluuebunny/crossref_metadata_2025 huggingface dataset:
Development and Characterization of Eudragit Rl100 Nanoparticle Loaded Duloxetine Hydrochloride Gel for Transdermal Drug Delivery
Authors: Kondapuram Parameshwar , Sahoo Suvendu K.
Published: February 2023

Purpose: The study sought to examine the feasibility of transdermal delivery of duloxetine hydrochloride from a nano-gel and in-vitro assessment of the gel to demonstrate improved solubility and drug absorption from in-vitro permeation studies using rat skin. Materials and Methods: Six formulas of amorphous duloxetine hydrochloride-loaded nanoparticle (NP) using eudragit RL 100 and Tween 80 as a stabilizer in the different ratios of ethanol by the solvent antisolvent technique. The physicochemical critiques of the amorphous duloxetine hydrochloride-loaded NP have completed the best formulation, NPF6, fourier-transform infrared (FTIR) spectroscopy, differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), particle size, and surface morphology analysis. The nano gel on produced using NPF6 in hydroxypropyl methylcellulose (HPMC) and carbopol glycol 934 gelling solutions. Investigated the gel’s mechanical and rheological characteristics and in-vitro permeation. Results: The chosen solvent-antisolvent precipitation technique might produce NP with desirable physicochemical characteristics. The particle size of the nanoparticle’s two factors is regulated by solvent: antisolvent surfactant content and ratio. According to the findings of the FTIR investigation, the medication and excipients were compatible. The scanning electron microscope (SEM) investigation reveals the development of distinct asymmetric NPs. A comparative learning process and statistical analysis discovered that the best thermosensitive nanogel of amorphized duloxetine hydrochloride NPs with higher bioavailability features was carbopol glycol 934 gel. Conclusion: As an outcome, the previously described in-vitro assessment of in-place nano gel put an example of the invention’s latent for increased solubility, patient compliance, and transdermal distribution of duloxetine hydrochloride.
Evaluation of the Biological Efficacy and Physicochemical Evaluation of Toothpaste Prepared from Few Types of Plant Extracts against Some Pathogenic Bacteria Isolated from the Mouth
Authors: Mohammed Raghad H. , Al Niaame Asmma  E.
Published: February 2023

The demand for a herbal-based products such as toothpaste is high these days. Consumers believed that herbal-based toothpaste are safe, effective and less toxic because few and safe chemicals is used as compared to synthetically produced toothpaste. Therefore, this study was amied to formulate and evaluate new polyherbal toothpaste containing herbal extracts available to treat periodontal problems. The polyherbal toothpaste was formulated using three herbal extracts namely lemongrass (Cymbopogon citratus L.) marjoram (Qriganum majorana L.) and salivia (Salvia officinalis L.) and tested against Streptococcus mitis-orul Streptococcus pyogen, Streptococcus mutans, Enterococcus faecalis Enterococcus faecium, Gemella morbilloe, Staphylococcus aureus, Staphylococcus epidermidis, Staphylococcus haemolyticus, Escherichia coli, Klebsiella pneumonia ssp, Acinetobacter baumannii complex, Pseudomonas aeruginosa, with different concentrations varying from 100, 50, 25, 12.5, and 6.25 mg/mL. The significant inhibition has seen against Streptococcus mutans (27 mm) and there is no inhibition for both Acinetobacter baumannii complex and P. aeruginosa. The formulated toothpaste was also evaluated with the standard physiochemical parameters along with the antimicrobial activity. it opens a window for future study to enhance the ability of the toothpaste and to prove the efficacy and safety of the formulated toothpaste. Then a comparison was made with commercial toothpastes for three selected types
Synthesis, Characterization of New Ligand Derived from 4-aminoantipyrine and its Complexes with Few Metallic Ions and Evaluation of their Activity as Anticancer
Authors: Dawood M. N. , Jamel H. O.
Published: February 2023

A new heterocyclic ligand (LH) derived from 4-aminoantipyrene was prepared through the reaction of 2-mercaptobenzothiazole with 4-amino-antipyrene dissolved in absolute ethanol as the first step to form compound-A, while the second step involved the reaction of O-phenylenediamine with benzil to produce compound -B, the third step involved the reaction of the products of the first and second steps to give the ligand as a final product. Five complexes, Ni (II), Cu (II), Zn(II), Cd (II) and Ag (I) were synthesized from the reaction of the ligand (LH) with its ionic salts. The ligand and its prepared complexes are characterized by proton nuclear magnetic resonance (1H-NMR), fourier-transform infrared spectroscopy (FTIR), UV-vis spectroscopy and X-rays as well as used other techniques such as quantitative analysis of the elements china health and nutrition survey (CHNS), field emission scanning electron microscope (FESEM) as well as molar conductivity and magnetism sensitivity, in addition to measuring melting points. These techniques were used to determine the structures and geometry of the prepared compounds. FTIR spectra showed that the ligand behaves as a tetra-dentate ligand and that the ratio of ligand to metal is (1:1) for all the prepared complexes according to the molar ratio calculations, which were confirmed by quantitative analysis of the elements CHNS and atomic absorption measurements. The molar conductivity results showed that all the non-electrolytic complexes except the zinc (II) and cadmium (II) complexes were ionic in a 1:1 ratio. From the foregoing, it is proved that the complexes have tetrahedral geometry, with the exception of the Ni(II) and Cu(II) complexes, which are octahedral. The anticancer activity of the ligand and its complex with silver was further evaluated using breast cancer cell lines and compared to the normal cell line. The study showed good results by treating infected cells compared to normal cells.
Anti-angiogenic Activity of Rosa canina Extracts, an Ex-vivo and In-vivo Study
Authors: Jasim Zaman  M. , Jasim Ghaith A. , Abbas Ibrahim S.
Published: February 2023

Angiogenesis, known as blood vessel growth from preexisting vasculature, occurs when proangiogenic overcomes the angiogenic factor. The most important angiogenic factors (promotors) of angiogenesis were vascular endothelial growth factor (VEGF), epidermal growth factor (EGF), fibroblast growth factor (FGF), platelet derived growth factor (PDGF), angiogenin and tumor necrosis factor (TNFα). Rosa canina, commonly known as rose hip or dog rose, widely distributed in Europe, Asia and North America, belongs to the Rosacea family. Different biological compounds were found in R. canina, such as high phenolic composition (specifically flavonoids), vitamins as vitamin C, carotenoids, and fatty acids as (linolenic acid). Polyphenolic compounds are very important due to its efficacy as antioxidants and antiangiogenic. The dried powder of R. canina was extracted by using successive solvent extraction according to polarity (hexane, ethyl acetate and ethanol). The yield% of hexane, ethyl acetate and ethanol extracts were (0.8, 1.2 and 2.4 g per 100 g dried powder). Rat aorta assay (ex-vivo) was done to investigate antiangiogenic activity and choose the most bioactive extract. IC50 of avastin (positive control), ethanol, ethyl acetate and hexane were 20.281, 33.582, 61.744 and 94.537, respectively. The results revealed that ethanol extract (EE) was the most biologically active extract. Chorioallantoic membrane assay (CAM) in-vivo was done using R. canina ethanol extract. eosinophilic esophagitis (EE) has a greater percentage of inhibition of blood vessels when used in two concentrations 250 and 500 mg/20 mL. The zone of inhibition as mean ± SD was 19.921 ± 4.048 mm and 30.302 ± 2.805 mm, respectively. Thin-layer chromatography (TLC) and high-performance liquid chromatography (HPLC), was used to identify the phytochemical constituents of the EE. In the present study, EE of R. canina revealed six flavonoid compounds (rutin, quercetin, catechine, astragalin, hyperoside and gallic acid) that could be responsible for the biological activity of the ethanol extract. In conclusion, the EE of R. canina reported a promising antiangiogenic activity both ex-vivo and in-vivo that may be attributed to the flavonoid content of the extract. The purpose from the study in order to investigate the antiangiogenic activity of R. canina extracts ex-vivo and in-vivo.
Detection of the Effect of Adiponectin, Vitamin D on Few Biochemical Parameters in Type 2 Diabetes Mellitus
Authors: A. Zaboon Maha . , E. Jasim Walaa .
Published: February 2023

Diabetes is characterized by elevated blood glucose in the absence of treatment, resulting from defects in either insulin action, secretion or both, disturbances in the metabolism of fat, protein, carbohydrates and vitamin D3. The body gets vitamin D when exposed to UV radiation or food. Adiponectin is a protein hormone secreted by fat cells (adipose tissue ) and is involved in regulating glucose and lipid metabolism. The aims of this study are : to evaluate the effect of vitamin D and adiponectin at patients with Type 2 diabetes mellitus (T2DM) as a G1 (120 patients 60 male and 60 female ) and its relation with G2 healthy 60 subjects as a control (30 male, 30 female) and other related biochemical markers such as (lipid profile, and (BMI). The age of G1 and G2 is 35–65 years. Vitamin D and adiponectin value were measured by enzyme linked immunosorbent assay (ELISA) technique. A spectrophotometer measured FBG. The lipid profile was tested by lipid care analyzer. The results showed that the mean values of vitamin and adiponectin in G1 were lower than in G2 with highly significant differences between them (p < 0.01). The mean values of BMI and lipid profile in G1 were higher than that in G2, with a highly significant difference between them (p < 0.01), except the value of HDL it was lower in G2 than G1 with no significant difference between them (p > 0.05).
Evaluation of Antibacterial Activity of Aqueous and Alcohol Extracts of Zingiber officinale and Allium sativum on Bacterial Isolates from Urinary Tract Infection Patients
Authors: Al-Kubeisi Ahmed K.
Published: February 2023

This study aimed to study the effect Zingiber officinale and Allium sativum crude extract on bacterial isolates from children suffer from urinary tract infection (UTI) and compare it with the activity of antibiotics. The bacterial isolated were collected from variety of hospitals during the period 6-1-2021 to 5-4-2022. The isolates were cultured and identified. 100 bacterial isolates identified as follows Pseudomonas aeruginosa (2), Escherichia coli (65), Staphylococcus aureus (20), Klebsiella pneumonia and Proteus mirabilis (2) for each, Scaphirhynchus albus, Morganella morganii and Micrococcus (1), Staphylococcus capitis, Staphylococcus epidermidis, Proteus vulgaris, Klebsiella oxytoca, Citrobacter freundii and Pseudomonas luteola (1). Different degrees of sensitivity were shown by the isolates for different types of antibiotics. Antibacterial activity of aqueous Z. officinale extract was (7–30) mm while the alcoholic extract of Z. officinale was (4–20) mm. aqueous A. sativum extract (3–26) mm while alcoholic extraction (5–22) mm.
Phytochemical and Antibacterial Evaluations of a Medicinal Plant, Carthamus tinctorius L Cultivated in the South West of the Sahara of Algeria in the Wilaya of Adrar
Authors: Kadri Yasser . , Nani Abdelhafid . , Bahiani Malika . , Mezaouli Oum E. , Belbachir1 Marwa .
Published: February 2023

This work was carried out on Carthamus tinctorius, on which we performed the extraction of secondary metabolites using cold maceration using a solvent consisting of methanol and acetone and water (7/7/6: V/V/V). We were able to determine the density of polyphenols, flavonoids and condensed tannins present in this medicinal plant. We also studied its antibacterial power tested on Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus cereus, Bacillus subtilis, Enterococcus faecalis, by a method called “disc diffusion method”. The contents found are 0.25 mg CE/g DM in condensed tannins, 1.17 mg CE/g DM in flavonoids, and 7.18 mg GAE/g DM in polyphenols. The E. coli bacterium is the only one that was sensitive and whose zone of inhibition has a diameter equal to 14 mm. The minimum inhibitory concentration (MIC) of E. coli is equal to 100 mg/mL, and the minimum bactericidal concentration (MBC) is equal to 150 mg/mL; therefore the MBC/MIC ratio of the hydromethanolic extract of C. tinctorius is approximately 1.5, this enabled us to demonstrate that this extract has a bactericidal effect.
Synthesis and Antioxidant Evaluation of Few Heterocyclic Derivatives
Authors: Mekky Athraa H. , Jasem Abeer M.
Published: February 2023

A series of novel heterocyclic derivatives [A1-A7] have been synthesized by the alkylation reaction of the (SH, NH, OH) of various heterocyclic (oxadiazole, thiadiazole,4-hydroxy coumarin and benzothiazole) with chloro acetone or 2-bromoacetophenone. The resulting percentage yield of synthesized compound was relatively (69-85%). The producing compounds have been identified by infrared radiation (IR), proton nuclear magnetic resonance (1H-NMR), Carbon-13 nuclear magnetic resonance (13C-NMR) spectroscopy, and the quantities of various physical properties (melting point, crystal shape, and color). The synthesized derivatives were examined for their antioxidant activities.
Antibiotic Resistance Profile of Staphylococcus aureus isolated from Imported and Domestic Meat Samples
Authors: Kazem Esraa M. , Jarallah Eman M.
Published: February 2023

Food-borne microbes are considered one of the most important health risks at the present time, as well as an economic problem where the contaminated material must be destroyed and large sums of money lost to the producing companies. The result of examining the samples of cans using the pour method was that imported cans are more polluted than local cans. The sellers, as these bacteria cause food poisoning and most of them are resistant to antibiotics, which increases their danger. The highest percentages of antibiotic resistance were detected for trimethoprim followed by gentamicin and penicillin G, while most isolates were sensitive to ciprofloxacin and nitrofurantoin. The 60 samples were collected from canned food. They were randomly collected from different supermarkets in Hilla, Iraq. It also showed the results of microscopy and biochemical tests. In addition to the recognition of isolates by the Vitek 2 system, it was found that 30% of them contain Staphylococcus aureus, 20% Enterobacteriaceae, and 10% different bacteria, including Streptococcus and other species. Sensitivity tests were conducted for all the samples.
Comparative Antioxidant and Antiulcer Potential of In-house and Marketed Polyherbal Formulation
Authors: Khade Medha A , Gupta Manish K , Srivastava Birendra , Hyam Supriya R , Khade Amol B
Published: February 2023

The prime objective of the present research was to assess the antioxidant and comparative anti-ulcer potential of a gastroretentive polyherbal formulation with a conventional oral marketed formulation. The antioxidant capacity was estimated by 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) and 2,2-diphenylpicrylhydrazyl (DPPH) methods. For the assessment of comparative anti-ulcer potential, the aspirin-induced rat ulcer model was utilized. Enzyme-linked immunosorbent assay (ELISA) studies were performed to study the effect on pro- and anti-inflammatory markers. ABTS and DPPH free radical scavenging capacity signified the antioxidant activity of the formulation. Evaluation parameters such as pH of the gastric content, total and free acidity, ulcer index, and histopathological changes were studied in the aspirin-induced anti-ulcer activity. The study’s outcomes reveal the significant anti-ulcer potential of the in-house gastro-retentive polyherbal formulation and marketed formulation as indicated by the reduction in ulcer index, free and total acidity. The results of the histopathological investigation further strengthened the anti-ulcer potential. Moreover, pre-treatment with gastro-retentive formulation decreased the ulcer index to a greater degree than the conventional marketed formulation. The results conclude that the antioxidant, antisecretory, cytoprotective, and anti-inflammatory actions might be responsible for the anti-ulcer activity. Further, the gastro-retentive formulation has an improved potential in treating ulcers over conventional oral formulations.
Bioactivity Guided Fractionation and Elucidation of Anticancer Properties of Madhuca longifolia Leaf Extracts
Authors: Kendre Nutan S , Wakte Pravin .
Published: February 2023

One of the leading causes of mortality in the globe is cancer. Cancer is a primary reason of death, with approximately 19.3 million novel cases expected to be diagnosed globally in 2022. The use of naturally generated anticancer chemicals must be developed as an alternative safe, affordable, and practical method for cancer treatment as traditional cancer medicines have failed to meet the requirements for successful cancer therapy. Phytochemicals and herbal extracts from various plants have been shown to have powerful chemopreventive properties. In this work, we studied the pharmacognostical and anticancer activity of the leaves of Madhuca longifolia. Aqueous, hydroalcoholic and ethanolic extracts of plants M. longifolia shows considerable movement beside breast cancer cell line MCF-7. The pharmacognostical study of leaves of M. longifolia shows existence of phenolic compounds, steroids, glycosides, saponins, alkaloids, flavonoids, amino acids, proteins, carbohydrates, and triterpenoids. The cytotoxicity of cancer cells has been linked to the induction of intracellular reactive oxygen species (ROS). The IC50 values of ethyl acetate fractions of ML is (14.37 μg/mL) and n-butanol fraction of ML (19.58 μg/mL) showed good activity which is compared with the standard drug tamoxifen (4.59 μg/mL). From the study, we concluded that the leaves of the plant M. longifolia show significant anticancer activity.
The evaluation of Two Zwitterionic Hydrophilic Interaction Liquid Chromatography Materials for the Rapid Separation of Methamphetamine and Muscimol Pharmaceuticals
Authors: Abdulrahman Salsal K , Qassim Ameen W , Rasheed Ashraf S
Published: February 2023

The investigation aimed to use two Zwitterionic Hydrophilic Interaction Liquid Chromatography (ZIC-HILIC) columns to examine the retention behavior of methamphetamine and muscimol. The various spacer lengths between zwitterionic molecules in the stationary phases have been utilized to investigate methamphetamine and muscimol retention behavior. In hydrophilic interaction liquid chromatography (HILIC), the retention characteristic of these two drugs was examined using a mixture of sodium acetate buffer/acetonitrile as an eluent equipped with a UV detector. It has been established that hydrophilic and hydrophobic mechanisms primarily govern the separation of methamphetamine and muscimol medicines on two ZIC-HILIC columns. As previously stated, the ZIC-HILIC-1 column demonstrated a difference when compared to the ZIC-HILIC-5 columns. The combination of positively and negatively charged locations in a single molecule bonded to the surface of an adsorbent allows for distinct variations in methamphetamine and muscimol selectivity separation.
Effect of Berberine Supplement in Iraqi Sample of Type 2 Diabetic Patients with Recurrent Urinary Tract Infections
Authors: Majeed Saba H , Mshimesh Bahir A.R , Salman Isam N
Published: February 2023

In recent years, in vitro and in vivo research has shown that the Chinese traditional herb berberine, commonly used to treat bacterial diarrhea, decreases blood glucose levels. Berberine’s efficacy and safety in treating patients with recurrent urinary tract infections (UTIs) in type 2 diabetes were assessed in this randomized, single-blind controlled study. Metformin was given to 60 persons with documented type 2 diabetes and UTIs for 12 weeks. According to the study, group A (Control group) received metformin (0.5 g t.i.d.) and group B received a mixture of berberine (0.5 g b.i.d.) and metformin (0.5 g t.i.d.) with a 24 weeks follow-up period. After 12 weeks of treatment, the medicinal plant berberine reduces the recurrence of UTIs in patients with type 2 diabetes mellitus (T2DM) by significantly lowering pyuria (WBCs/HPF), bacteriuria (>105 CFU/mL), and hematuria (RBCs/HPF) in patients compared to pre-treatment values and the control group. Fasting plasma glucose levels in both groups decreased significantly after 12 weeks of treatment for type 2 diabetes, relative to pre-treatment values and between groups. The berberine group saw a statistically significant decrease in urea, but not in creatinine or uric acid. In conclusion, this randomized study indicates that using berberine supplements to treat, prevent, and reduce recurring urinary tract infections in type 2 diabetes.
Characterization of the Binding Poses of Classical and Photoswitchable Psychedelics Interacting with 5-HT2AR
Authors: Palmisano Vito , Agnorelli Claudio , Erritzoe David , Fagiolini Andrea , Faraji Shirin , Nogueira Juan Jose
Published: February 2023

Classic psychedelics are compounds that target the 5-hydroxytryptamine receptor type 2A (5-HT2AR), inducing profound changes in consciousness. Although these compounds most closely resemble the natural neurotransmitter serotonin, their therapeutic and psychoactive action is still not well understood. Therefore, a quantitative atomistic description of their interaction in the 5-HT2AR receptor is required to shed light into their mode of action. In this work, we performed a computational characterization of the orthosteric binding pocket for classical and photoswitchable psychedelics by means of semi-flexible molecular docking, classical molecular dynamics and binding free energy computations to identify the interactions with the key protein residues. Two nearly degenerate binding poses were observed inside the orthosteric pocket. 5-HT (5-hydroxytryptamine) and LSD (lysergic acid diethylamide) show a preference for the canonical crystallized pose of the 5-HT2AR-LSD structure, in contrast to N,N-DMT (N,N-dimethyltryptamine) and 4-OH-N,N-DMT (4-hydroxy-N,N-dimethyltryptamine), which show a small preference for the newly identified pose. The photoswitchable analogs trans- and cis- AzobenzeneDMT (AzoDMT) interact similarly to N,N-DMT, with the cis-AzoDMT isomer being the most stable. Finally, the azobenzene domain of both cis- and trans-AzoDMT interact with the same key residue (L229) responsible for the extracellular loop closure of LSD. Our simulations clarify the nature of intermolecular drug/protein interactions, which can help to develop new classes of classical and photoswitchable psychedelics.
Towards combined photobiological-photochemical formation of kerosene-type biofuels: Which small 1,3-diene photodimerizes most efficiently?
Authors: Vajravel Sindhujaa , Cid Gomes Leandro , Rana Anup , Ottosson Henrik
Published: February 2023

A transition from fossil- to bio-based hydrocarbon fuels is required to reduce greenhouse gas emissions, yet, traditional biomass cultivation for biofuel production competes with food production and impacts negatively on biodiversity. Recently, we reported a proof-of-principle study of a two-step photobiological-photochemical approach to kerosene biofuels in which a volatile hydrocarbon (isoprene) is produced by photosynthetic cyanobacteria, followed by its photochemical dimerization into C10 hydrocarbons. Both steps can utilize solar irradiation. Here we report the triplet state (T1) sensitized photodimerization of a broader set of small 1,3-dienes to identify which structural features lead to rapid photodimerization. Neat 1,3-cyclohexadiene gave the highest yield (93%) after 24 hours of irradiation at 365 nm, followed by isoprene (66%). The long triplet lifetime of 1,3-cyclohexadiene, which is two orders of magnitude longer than those of acyclic dienes, is key to its high photoreactivity and stem from its planar T1 state structure. In contrast, while isoprene is conformationally flexible, it has both photochemical and photobiological advantages as it is the most reactive among the volatile 1,3-dienes and it can be produced by cyanobacteria. At the end, we explored the influence of solvent viscosity, diene concentration, and triplet sensitizer loading on the photodimerization, with a focus on conditions that are amenable when the dienes are produced photobiologically. Our findings should be useful for the further development of the two-step photobiological-photochemical approach to kerosene biofuels.
High-Throughput Computational Investigation of Protein Electrostatics and Cavity for SAM-Dependent Methyltransferases
Authors: Jurich Chris , Yang Zhongyue
Published: February 2023

S-adenosyl methionine (SAM) -dependent methyl transferases (MTases) are aubiquitous class of enzymes catalyzing dozens of essential life processes. Despite targeting a largespace of substrates with diverse intrinsic reactivity, SAM MTases have similar catalytic efficiency.While understanding of MTase mechanism has grown tremendously through integration ofstructural characterization, kinetic assays, and multiscale simulations, it remains elusive regardinghow these enzymes have evolved to fit the diverse chemical needs of their respective substrates.In this work, we performed a high-throughput computational analysis of 91 SAM MTases to betterunderstand how the properties (i.e., electric field strength and active site volumes) of SAM MTaseshave been evolved to achieve similar catalytic efficiency towards substrates of different reactivity.We found that electric field strengths have largely evolved to make the target atom a better methylacceptor. For MTases that target RNA/DNA- and histone protein, our results suggest that electricfield strength accommodates hybridization state and variation in cavity volume trends withdiversity of substrate classes. Metal ions in SAM MTases contribute negatively to electric fieldstrength for methyl donation and enzyme scaffolds have evolved to offset these contributions.
Poly(styrene sulfonate) coated gold nanoparticles display virucidal antiviral activity
Authors: Bhebhe Lorraine , Jones Luke , Super Elana , Jones Samuel
Published: February 2023

Viruses are pathogens capable of causing serious global health problems. Designing and developing interventions against viruses is of paramount importance. By mimicking sulfonated cell surface polymers it is possible to design materials that interact with viruses and inhibit infection. These materials typically have a reversible, non-destructive, virustatic mechanism. A virucidal, destroy on contact, mechanism is advantageous for many applications. We show that by attaching virustatic polymers to a nanoparticle core it is possible to alter their mode of action to virucidal. Here we attach poly(styrene sulfonate)(PSS) to gold nanoparticles. The virustatic antiviral properties of PSS are well known, however, this is the first ime a virucidal mechanism has been achieved. Here we synthesise Thiol-terminated PSS using RAFT polymerisation. This thiol-terminated PSS was then used to synthesise PSS coated AuNPs via reduction of gold salts. These PSS coated AuNPs were then studied for their toxicity, antiviral properties and mode of action. We found that they were non-toxic, broad-spectrum and had a virucidal mode of action. Designing non-toxic virucidal materials is a significant challenge and a simple approach to accessing this advantageous mode of action is urgently needed. This strategy should be applicable to other virustatic polymers, greatly increasing their applicability.
Molybdenum and Tungsten Carbonyl Compounds Generate Carbonyl Sulfide (COS), but not Carbonyl Selenide (COSe), when Treated with Elemental Sulfur and Selenium
Authors: Sherbow Tobias , Zakharov Lev , Pluth Michael
Published: February 2023

Carbonyl sulfide (COS) is implicated in prebiotic chemistry, and recent work on COS/H2S donors has invigorated COS chemistry. We demonstrate that [TpM(CO)3]- (M=Mo,W) react with S8 to form COS, but form [TpW(CO)2]2Se3 not COSe upon reaction with Se. These results advance the metal-mediated interconnectivity of CO and reactive S/Se species.
Defect-Free Synthesis of a Fully π-Conjugated Helical Ladder Polymer and Resolution into a Pair of Enantiomeric Helical Ladders
Authors: Ikai Tomoyuki , Miyoshi Sayaka , Oki Kosuke , Saha Ranajit , Hijikata Yuh , Yashima Eiji
Published: February 2023

Fully π-conjugated ladder polymers with a spiral geometry represent a new class of helical polymers with great potential for organic nanodevices, but there is no precedent for an optically-active helical ladder polymer totally composed of achiral units. We now report the defect-free synthesis and resolution of a fully π-conjugated helical ladder polymer with a rigid helical cavity, which has been achieved by quantitative and chemoselective acid-promoted alkyne benzannulations of a rationally designed, random-coil achiral polymer followed by chromatographic enantioseparation. Because of a sufficiently high helix-inversion barrier, the isolated excess one-handed helical ladder polymer with the degree of polymerization of more than 15 showed a strong circular dichroism with the dissymmetry factor of up to 1.7 x 102 and is thermally stable, maintaining its optical activity in solution even at 100 °C, as well supported by molecular dynamics simulation.
Towards the detection limit of electrochemistry: Studying anodic processes with a fluorogenic reporting reaction
Authors: Linfield Steven , Gawinkowski Sylwester , Nogala Wojciech
Published: February 2023

Recently, shot noise has been shown to be an inherent part of all charge transfer processes, leading to a practical limit of quantification of 2100 electrons (~0.34 fC) (Curr. Opin. Electrochem. 2020, 22, 170177). Attainable limits of quantification are made much larger by greater background currents and insufficient instrumentation, which restricts progress in sensing and single-entity applications. This limitation can be overcome by converting electrochemical charges into photons, which can be detected with much greater sensitivity, even down to a single-photon level. In this work, we demonstrate the use of fluorescence, induced through a closed-bipolar set-up, to monitor charge transfer processes below the detection limit of electrochemical workstations. During this process, the oxidation of ferrocenemethanol (FcMeOH) in one cell is used to concurrently drive the oxidation of Amplex Red (AR), a fluorogenic redox molecule, in another cell. The spectroelectrochemistry of AR is investigated and new insights on the commonplace practise of using deprotonated glucose to limit AR photooxidation are presented. The closed-bipolar set-up was used to produce fluorescent signals corresponding to the steady-state voltammetry of FcMeOH on a microelectrode. Chronopotentiometry is then used to show a linear relationship between the charge passed through FcMeOH oxidation and the integrated AR fluorescence signal. The sensitivity of the measurements obtained at different timescales varies between 2200 - 500 electrons per detected photon. The electrochemical detection limit is approached using a diluted FcMeOH solution in which no current signal is observed. Nevertheless, a fluorescence signal corresponding to FcMeOH oxidation is still seen, and detection of charges down to 300 fC is demonstrated.
Further cautionary tales on thermostatting in Molecular Dynamics: energy equipartitioning and non-equilibrium processes in gas-phase simulations
Authors: Halonen Roope , Neefjes Ivo , Reischl Bernhard
Published: February 2023

Molecular dynamics (MD) simulations of gas-phase chemical reactions are typically carried out on a small number of molecules near thermal equilibrium by means of various thermostatting algorithms. Correct equipartitioning of kinetic energy among translations, rotations and vibrations of the simulated reactants is critical for many processes occurring in the gas phase. As thermalizing collisions are infrequent in gas-phase simulations, the thermostat has to efficiently reach equipartitioning in the system during equilibration and maintain it throughout the actual simulation. Furthermore, in non-equilibrium simulations where heat is released locally, the action of the thermostat should not lead to unphysical changes in the overall dynamics of the system. In this study, we explore issues related to both obtaining and maintaining thermal equilibrium in MD simulations of an exemplary ion-molecule dimerization reaction. We first compare the efficiency of Nosé-Hoover, Canonical Sampling through Velocity Rescaling, and Langevin thermostats for equilibrating the system and find that of these three only the Langevin thermostat achieves equipartition in a reasonable simulation time. We also study the effect of unphysical removal of latent heat released during simulations involving multiple dimerization events, when global thermostatting schemes are applied, which effectively cools down the reactants and leads to an overestimation of the dimerization rate. Our findings underscore the importance of thermostatting for the proper thermal initialization of gas-phase systems and the consequences of global thermostatting in non-equilibrium MD simulations.
Editorial
Authors: Lima Carlos Eduardo Batista de , Sales Ana Lina De Carvalho Cunha
Published: February 2023

Prezados professores e membros da comunidade acadêmica do Hospital Universitário da Universidade Federal do Piauí, No número atual da nossa revista científica teremos um trabalho na área de odontologia coordenado pela Professora Dra. Titular da UFPI Lúcia de Deus Moura e com a participação do nosso setor de patologia com o Professor Dr. Rafael de Deus Moura sobre a identificação de rara associação de cisto radicular associado ao primeiro molar abordando aspectos diagnósticos e de seguimento. Na sequência teremos um interessante artigo de autoria do Professor Mestre Raimundo Araújo Júnior e sua equipe com a Dra. Renata Silva e a participação do nosso setor de radiologia do HU com o Professor Dr. Eduardo Bruno abordando os aspectos tomográficos em pacientes com pancreatite aguda atendidos no HU UFPI. Outro interessante trabalho apresentado nessa revista, de autoria do Dr. Tibério Silva e sua equipe incluindo o Dr. Paulo Marcelino e a Dra. Ana Karoline Monteiro, aborda os aspectos clínicos e epidemiológicos da coorte de pacientes atendidos na enfermaria no nosso hospital.
Child development and formation of human capital: overlap of economic aspects to the detriment of rights
Authors: De Lima Claro Maísa , Francisca de Sousa Artemizia , De Sousa Nobre Reseanne , Helena de Oliveira Lima Luisa
Published: February 2023

Objetivo: refletir acerca do desenvolvimento infantil ao longo dos tempos, onde ficam perceptíveis as motivações do Estado em assegurar direitos mínimos para o público infantil desde a era medieval, motivado pela garantia de mão-de-obra no futuro. Método: estudo teórico-reflexivo a partir de documentos oficiais brasileiros e internacionais. Resultados: ao assegurar qualidade de vida desde a fase mais tenra, aumentamse as chances desta criança chegar a fase adulta mais saudável, como vem demonstrando a ciência. Porém, ao longo dos anos, várias foram as barreiras a serem rompidas para a consolidação dos direitos na infância e da garantia legal dos cuidados para com elas. No Brasil, a constatação legal que assegurou os direitos na infância só ocorreu a partir de 1988, com a promulgação da Constituição Cidadã. A partir de então, surgiram novos desafios que requereram um aprimoramento constante das leis, uma vez que existia um conflito de interesses entre os órgãos de saúde e a indústria, pois a primeira visa o bem-estar das crianças, enquanto a segunda, o lucro. Conclusão: o desenvolvimento infantil deve ser assegurado por ser um direito, não devendo ser perpetuada a ideia de que a mesma favorecerá a economia, devendo esta última acontecer como consequência.
Development of digital communication and information technologies in the training of indigenous and quilombola nurses
Authors: Castro Nádile Juliane Costa de , Santos Raimundo Abreu dos , Silva Jhennifer Nycole Rocha da , Araújo Jainara de Souza , Mesquita Deisiane da Silva , Naka Karytta Sousa
Published: February 2023

Objetivo:  relatar o desenvolvimento de Tecnologias Digitais de Comunicação e Informação como mediador no processo de formação de discentes indígenas e quilombolas em Enfermagem. Método: relato de experiência sobre o desenvolvimento de tecnologias de um projeto de extensão de uma universidade da região Norte. Utilizou de repositório de uma mídia social e relatório. O recorte temporal foi de março de 2020 a março de 2021 realizado no percurso da modalidade do ensino remoto. Realizou-se o desenvolvimento de 38 postagens. Resultados:  o projeto usou dos recursos tecnológicos para diminuir os impactos da pandemia na formação acadêmica e neste percurso foram identificadas duas categorias para sua implementação: uso de tecnologias no processo de divulgação e disseminação da informação na extensão universitária; e tecnologias para efetivação das políticas afirmativas na Enfermagem. Considerações finais:  as tecnologias são mediadoras no processo de formação em Enfermagem e na implementação da formação de discentes oriundos de políticas afirmativas nos espaços acadêmicos. Esses recursos tecnológicos podem proporcionar, de forma clara e objetiva, a disseminação de conhecimento para a comunidade, em geral, a partir da transformação social, e sobre temáticas do processo saúde-doença e cotidiano, além de diminuir as desigualdades com grupos tradicionais.
campus escolar “Historia y videojuegos”: Diseño, resultados y conclusiones
Authors: Mugueta Moreno Íñigo
Published: February 2023

En el presente trabajo se pretende exponer el diseño, los resultados y las conclusiones del Campus Escolar “Historia y Videojuegos”, organizado por la Universidad Pública de Navarra entre el 28 de agosto y el 1 de septiembre de 2017. Este Campus suponía la culminación de una serie de talleres didácticos realizados en Centros de Educación Primaria y Secundaria con videojuegos comerciales de estrategia histórica. Se pretendía realizar una experiencia didáctica en un contexto extraescolar en el que los investigadores tuvieran libertad y control durante todo el proceso. Con las estrategias didácticas emprendidas y los cuestionarios respondidos por los alumnos, se pretendía averiguar, por un lado, el grado de fiabilidad que los alumnos otorgaban a los contenidos históricos de los videojuegos, y por otro, si los videojuegos permitirían a los alumnos desarrollar competencias de pensamiento histórico.
«La historia no fue así»: reflexiones sobre el fenómeno de la historia contrafáctica en los videojuegos históricos
Authors: Jiménez Alcázar Juan Francisco
Published: February 2023

El debate sobre un pasado posible que hubiera generado un presente distinto y un futuro diverso vive en los últimos años una interesante actividad. El fenómeno del videojuego ha recogido toda la tradición de novelas, cine y series de televisión que observaban la Historia como un elemento más de creación e imaginación, y ha venido a mezclar el interés de historiadores por aventurar un pretérito distinto con el fin de explicar un contexto específico hoy día. Este trabajo reflexiona sobre el potencial y la realidad del discurso contrafáctico para el usuario medio de los videojuegos con guion de historia virtual.
colaboración de la escuela y las instituciones culturales para la Educación Patrimonial: estudio de caso
Authors: Guillén Peñafiel Rebeca , Hernández Carretero Ana María
Published: February 2023

La educación patrimonial es necesaria para asegurar la protección, el respeto y la sostenibilidad de los bienes que constituyen nuestro patrimonio. En este sentido, procurar la concienciación patrimonial debe ser un objetivo común tanto para la educación reglada como para la no reglada, fortaleciendo la cooperación entre escuelas e instituciones de investigación y museísticas. Conocer cómo colaboran las instituciones educativas, museísticas y de investigación de la ciudad de Mérida para educar en patrimonio cultural es el objetivo de este trabajo. Para ello, por un lado, entrevistamos a docentes de diferentes centros educativos de Educación Primaria y a los responsables de los departamentos de divulgación de instituciones patrimoniales y, por otro lado, valoramos el interés de alumnos y alumnas, de distintos colegios de la ciudad, mediante un sencillo cuestionario.
Música y cultura popular como recursos para el estudio de la Transicion a la democracia en el País Vasco
Authors: Mota Zurdo David
Published: February 2023

El presente artículo es una propuesta de unidad didáctica para bachillerato. Su objetivo es problematizar el conocimiento que el alumnado suele tener de este periodo histórico tan convulso e interesarles por su estudio a través de diferentes y novedosas fuentes de información (fanzines, música, etc.). Asimismo, el objetivo es plantear un relato inclusivo que huya de maniqueísmos utilizando un amplio elenco de recursos didácticos. La siguiente propuesta de unidad didáctica es una práctica de aula sugerente.
construcción de la locura de una reina en el cine español: aportaciones contemporáneas al desarrollo del personaje cinematográfico de Juana la Loca
Authors: Álvarez Romera Elba
Published: February 2023

Este trabajo tiene como objetivo analizar la evolución que ha tenido el personaje de Juana la Loca a lo largo de la historia cinematográfica española. Para ello, se han analizado las tres última películas Locura de amor (1948), Juana la Loca (2001) y La corona partida (2016) que tratan aspectos sobre la vida de la reina Juana, caracterizadas por haber sido realizadas en diferentes contextos políticos y sociales. De esta manera, comprobaremos como el contexto influye en el momento de narrar la historia del personaje y la evolución que ha tenido hasta nuestros días.
¡Débiles y peligrosas! De-construyendo las relaciones de género en la enseñanza de las ciencias sociales
Authors: Marolla Gajardo Jesús , Cartes Pinto Daniela
Published: February 2023

El presente artículo reflexiona sobre los escenarios de posibilidad que existen en las aulas y en la enseñanza de la historia y las ciencias sociales desde dos perspectivas. Se cuestiona, desde la perspectiva de la investigación de Marolla (2016), el contenido de los discursos del profesorado chileno sobre la inclusión y la enseñanza de la historia. Los discursos se contrastan con investigaciones realizadas sobre el contenido de las fuentes judiciales de la ciudad de Concepción y los roles de las mujeres. Se reflexiona en torno a los espacios y las herramientas que existen desde la didáctica para generar innovaciones y transformaciones a las desigualdades que existen por razones de género. El contenido de los discursos ha sido analizado bajo una metodología cualitativa a través de un estudio de casos. Los archivos judiciales han sido analizados bajo una metodología cualitativa descriptiva. Lo fundamental es el poder visualizar que existen espacios y caminos para generar innovaciones didácticas.
Memorias globales, aulas inclusivas. Un análisis de las propuestas teóricas de universalización en la historiografía escolar (1991-2015)
Authors: Escribano Roca Rodrigo
Published: February 2023

El presente ensayo pretende realizar un análisis en torno a las crecientes demandas que, por parte de la comunidad educativa y de ciertas instituciones supranacionales, se elevan para reclamar la “universalización” de los contenidos en los manuales escolares y programas docentes de historia. A tal efecto, realizamos un análisis comparativo sobre las teorías y textos oficiales que han defendido las ideas de “integración” y educación inclusiva y, a su vez, de los trabajos historiográficos que desde distintos ámbitos nacionales reclaman la mundialización de la historia escolar como medio preferente para inculcar en la conciencia social de los estudiantes valores cívicos inclusivos y transculturales.
Reseña de La enseñanza de la historia en el Siglo XXI. Desarrollo y evaluación de competencias históricas para una ciudadanía democrática
Authors: Riveiro Rodríguez Tania
Published: February 2023

Título: La enseñanza de la historia en el Siglo XXI. Desarrollo y evaluación de competencias históricaspara una ciudadanía democráticaEditores: Miralles Martínez, P.; Gómez Carrasco, C. J.; Rodríguez Pérez, R. A.Editorial: Editum. Ediciones de la Universidad de MurciaIdioma: español y portuguésAño: 2017ISBN: 978-84-697-3352-3Páginas: 273
Antioxidant property of secondary metabolites from Garcinia genus: A short review
Authors: Kazmierczak Elton , Magalh�es C�ssia Gon�alves , Picada Pereira Romaiana
Published: February 2023

Species from the Garcinia genus (Clusiaceae family) are used in the treatment of many diseases and metabolic disorders frequently associated with the oxidative stress. The characteristic metabolites found in this genus are xanthones and benzophenones, which have antioxidant properties, among relevant biological potentials. This review provides a specific vision about antioxidant activity of Garcinia species, reporting in vitro and in vivo assays, described from the last five years. The research about antioxidant properties of Garcinia species and their constituents can be directed in the development of new medicines and drugs.
Rebranding Industri Rumah Tangga (IRT) Bandeng Presto di Masa Pandemi Covid-19
Authors: Nurhamidah Idha , Purwanto Sugeng , Praptawati Destary
Published: February 2023

Program inti PKM ini adalah rebranding Industri Rumah Tangga (IRT) Bandeng Presto Bu Djah Trimulyo milik Ibu Anis Khodijah yang berlokasi di desa Trimulyo Kecamatan Genuk, Kota Semarang yang diwujudkan ke dalam dua kegiatan, yaitu: (1) pengurusan Nomor Induk Berusaha (NIB) dan Sertifikat Standar sebagai pengganti Izin Usaha Mikro dan Kecil (IUMK) No.003788/8/16/UMK/SMG milik Ibu Anis Khodijah tertanggal 31 Agustus, 2016 yang dikeluarkan oleh Kecamatan Genuk, Pemerintah Kota Semarang dan telah berakhir pada tanggal 31/08/2021, dan (2) berupa pembuatan Tas Jinjing dari bahan kertas yang disertai Logo dan Slogan: With Oriental Flavors serta tetap mempertahankan Branding lama: “Enak dan Terjangkau”. Tas ramah lingkungan tersebut memiliki prototype yang apabila stok habis dapat diproduksi ulang. Kegiatan Rebranding produk IRT Bandeng Presto Bu Djah Trimulyo tersebut di atas dapat dikategorikan sebagai Iptek untuk keberlanjutan wirausaha di Desa Trimulyo, Kecamatan Genuk, Pemerintah Kota Semarang yang dapat meningkatkan kesejahteraan. Di samping itu, perpanjangan dan pengembangan IUMK menjadi NIB dan Sertifikat Standar merupakan jaminan aspek legal (kepastian hukum) sebuah IRT dengan dampak yang secara langsung dapat dirasakan oleh anggota keluarga dan masyarakat sekitar sehingga lebih percaya diri dalam memberikan layanan bisnis berkelanjutan. Juga diharapkan bahwa bisnis ‘Bandeng Presto Bu Djah Trimulyo’ akan dapat bersaing dengan kompetitor sejenis.
Pengabdian kepada Masyarakat: Workshop Pengenalan 3D Printing Kelas XI SMK Muhammadiyah Larangan, Kabupaten Brebes
Authors: Budi Sigit Setijo , Hendrawan Andre Budhi , Fathurrohman Ahmad Syahid , Lestari Fitri Ayu
Published: February 2023

3D Printing merupakan teknologi di bidang percetakan yang berkembang sebagai mesin pencetak dengan sangat presisi, mudah dan cepat. Pada proses pembuatannya, 3D printing memegang peranan 3 dimensi pada desain produk termasuk pada model pencetakannya salah satunya model gantungan kunci. Semua produk tadi bisa digunakan 3D Printing dalam proses pembuatannya melalui purwarupa dan produk modelling. Sebelum langkah-langkah tersebut kita proses melalui alternatif desain CAD/ CAM, digital modelling dan yang terakhir produk dengan 3D printing. Berdasarkan permasalahan tersebut maka perlu dilaksanakan pembuatan 3D printing untuk SMK Muhammadiyah Larangan Kabupaten Brebes. Tujuan kegiatan Pengabdian Kepada Masyarakat diantaranya mengenalkan proses 3D printing kepada siswa SMK Muhammadiyah Larangan Kabupaten Brebes.