bluuebunny/crossref_metadata_2025 huggingface dataset:
Combination of Machine Learning Algorithms with Concentration-Area Fractal Method for Soil Geochemical Anomaly Detection in Sediment-Hosted Irankuh Pb-Zn Deposit, Central Iran
Authors: Farhadi Sasan , Afzal Peyman , Boveiri Konari Mina , Daneshvar Saein Lili , Sadeghi Behnam
Published: May 2022

Prediction of geochemical concentration values is essential in mineral exploration as it plays a principal role in the economic section. In this paper, four regression machine learning (ML) algorithms, such as K neighbor regressor (KNN), support vector regressor (SVR), gradient boosting regressor (GBR), and random forest regressor (RFR), have been trained to build our proposed hybrid ML (HML) model. Three metric measurements, including the correlation coefficient, mean absolute error (MAE), and means squared error (MSE), have been selected for model prediction performance. The final prediction of Pb and Zn grades is achieved using the HML model as they outperformed other algorithms by inheriting the advantages of individual regression models. Although the introduced regression algorithms can solve problems as single, non-complex, and robust regression models, the hybrid techniques can be used for the ore grade estimation with better performance. The required data are gathered from in situ soil. The objective of the recent study is to use the ML model’s prediction to classify Pb and Zn anomalies by concentration-area fractal modeling in the study area. Based on this fractal model results, there are five geochemical populations for both cases. These elements’ main anomalous regions were correlated with mining activities and core drilling data. The results indicate that our method is promising for predicting the ore elemental distribution.
The Origin of Synchysite-(Ce) and Sources of Rare Earth Elements in the Rožná Uranium Deposit, Czech Republic
Authors: Kříbek Bohdan , Knésl Ilja , Dobeš Petr , Veselovský František , Pořádek Přemysl , Škoda Radek , Čopjaková Renata , Leichmann Jaromír , Košek Filip
Published: May 2022

Synchysite was identified in the Rožná uranium deposit in a quartz–carbonate–sulfide vein, which is a part of the late (post-uranium and, post-Variscan) stage of the development of the hydrothermal system. The synchysite forms needles or lamellae, which are almost exclusively bound to the quartz filling of the veins. The structure of the quartz vein-filling, i.e., the preserved tubular syneresis crack pattern, Liesegang bands formed by hematite, chaotic grain size distribution of quartz grains, and ribbons of fibrous SiO2 grains, indicate that the synchysite crystallized in a silica gel. Its formation may be explained by the reaction of hydrothermal acid fluids rich in Fe2+ and rare earth elements (REEs) with alkaline Ca2+ HCO3− and F-rich fluids expelled from the gel during syneresis, or by its ageing. The subsequent recrystallization of the gel to form euhedral quartz grains was accompanied by the deformation of previously formed Liesegang rings, and the development of quartz rosettes. The study of fluid inclusions indicated that the silica gel originated at a very low temperature. The temperatures of the homogenization of two-phase inclusions in carbonate and quartz vein-filling varied between 38 and 74 °C, and the salinity ranged between 4 and 10 wt.% NaCl equiv. The δ13C carbonate values (from −4.65 to −5.21‰, PDB) indicate the deep-seated source of CO2, and δ18O values (from 14.76 to 18.22‰, SMOW) show that the source of the hydrothermal fluids was mainly surface water, with a possible admixture of fossil saline brines. The main sources of REEs are thought to have predominantly been uranium minerals (coffinitized uraninite and coffinite) that form a part of the breccia fragments embedded in the vein filling. The results illustrate the significant mobility of REEs in the late, low-temperature hydrothermal system, and they indicate the multiple remobilizations of REEs in the uranium deposits in general.
A Concise Synthetic Method for Constructing 3-Substituted Piperazine-2-Acetic Acid Esters from 1,2-Diamines
Authors: Chamakuri Srinivas , Tang Sunny Ann , Tran Kevin A. , Guduru Shiva Krishna Reddy , Bolin Peter K. , MacKenzie Kevin R. , Young Damian W.
Published: May 2022

We report a short synthetic route for synthesizing 2,3-substituted piperazine acetic acid esters. Optically pure amino acids were efficiently converted into 1,2-diamines that could be utilized to deliver the title 2,3-substituted piperazines in five steps with a high enantiomeric purity. The novel route facilitated, for the first time, the synthesis of 3-phenyl substituted-2-piperazine acetic acid esters that were difficult to achieve using other methods; however, in this case, the products underwent racemization.
Isolation, Diversity and Characterization of Ulvan-Degrading Bacteria Isolated from Marine Environments
Authors: Tanaka Reiji , Kurishiba Yu , Miyake Hideo , Shibata Toshiyuki
Published: May 2022

In this study, we aimed to isolate bacteria capable of degrading the polysaccharide ulvan from the green algae Ulva sp. (Chlorophyta, Ulvales, Ulvaceae) in marine environments. We isolated 13 ulvan-degrading bacteria and observed high diversity at the genus level. Further, the genera Paraglaciecola, Vibrio, Echinicola, and Algibacter, which can degrade ulvan, were successfully isolated for the first time from marine environments. Among the 13 isolates, only one isolate (Echinicola sp.) showed the ability not only to produce externally expressed ulvan lyase, but also to be periplasmic or on the cell surface. From the results of the full-genome analysis, lyase was presumed to be a member of the PL25 (BNR4) family of ulvan lyases, and the bacterium also contained the sequence for glycoside hydrolase (GH43, GH78 and GH88), which is characteristic of other ulvan-degrading bacteria. Notably, this bacterium has a unique ulvan lyase gene not previously reported.
Wheat Germ Spermidine and Clove Eugenol in Combination Stimulate Autophagy In Vitro Showing Potential in Supporting the Immune System against Viral Infections
Authors: Truzzi Francesca , Whittaker Anne , D’Amen Eros , Tibaldi Camilla , Abate Antonella , Valerii Maria Chiara , Spisni Enzo , Dinelli Giovanni
Published: May 2022

Impaired autophagy, responsible for increased inflammation, constitutes a risk factor for the more severe COVID-19 outcomes. Spermidine (SPD) is a known autophagy modulator and supplementation for COVID-19 risk groups (including the elderly) is recommended. However, information on the modulatory effects of eugenol (EUG) is scarce. Therefore, the effects of SPD and EUG, both singularly and in combination, on autophagy were investigated using different cell lines (HBEpiC, SHSY5Y, HUVEC, Caco-2, L929 and U937). SPD (0.3 mM), EUG (0.2 mM) and 0.3 mM SPD + 0.2 mM EUG, significantly increased autophagy using the hallmark measure of LC3-II protein accumulation in the cell lines without cytotoxic effects. Using Caco-2 cells as a model, several crucial autophagy proteins were upregulated at all stages of autophagic flux in response to the treatments. This effect was verified by the activation/differentiation and migration of U937 monocytes in a three-dimensional reconstituted intestinal model (Caco-2, L929 and U937 cells). Comparable benefits of SPD, EUG and SPD + EUG in inducing autophagy were shown by the protection of Caco-2 and L929 cells against lipopolysaccharide-induced inflammation. SPD + EUG is an innovative dual therapy capable of stimulating autophagy and reducing inflammation in vitro and could show promise for COVID-19 risk groups.
Merging Electron Deficient Boronic Centers with Electron-Withdrawing Fluorine Substituents Results in Unique Properties of Fluorinated Phenylboronic Compounds
Authors: Adamczyk-Woźniak Agnieszka , Sporzyński Andrzej
Published: May 2022

Fluorinated boron species are a very important group of organoboron compounds used first of all as receptors of important bioanalytes, as well as biologically active substances, including Tavaborole as an antifungal drug. The presence of substituents containing fluorine atoms increases the acidity of boronic compounds, which is crucial from the point of view of their interactions with analytes or certain pathogen’s enzymes. The review discusses the electron acceptor properties of fluorinated boronic species using both the acidity constant (pKa) and acceptor number (AN) in connection with their structural parameters. The NMR spectroscopic data are also presented, with particular emphasis on 19F resonance due to the wide range of information that can be obtained from this technique. Equilibria in solutions, such as the dehydration of boronic acid to form boroxines and their esterification or cyclization with the formation of 3-hydroxyl benzoxaboroles, are discussed. The results of the latest research on the biological activity of boronic compounds by experimental in vitro methods and theoretical calculations using docking studies are also discussed.
Overview of Allelopathic Potential of Lemna minor L. Obtained from a Shallow Eutrophic Lake
Authors: Gostyńska Julia , Pankiewicz Radosław , Romanowska-Duda Zdzisława , Messyasz Beata
Published: May 2022

Allelopathy is an interaction that releases allelochemicals (chemicals that act allelopathically) from plants into the environment that can limit or stimulate the development, reproduction, and survival of target organisms and alter the environment. Lemna minor L. contains chemicals that are allelopathic, such as phenolic acids. Chemical compounds contained in L. minor may have a significant impact on the development and the rate of multiplication and lead to stronger competition, which may enhance the allelopathic potential. Allelopathic potential may exist between L. minor and C. glomerata (L) Kütz. because they occupy a similar space in the aquatic ecosystem, have a similar preference for the amount of light, and compete for similar habitat resources. L. minor and C. glomerata can form dense populations on the water surface. Allelopathy can be seen as a wish to dominate one of the plants in the aquatic ecosystem. By creating a place for the development of extensive mats, an interspecific interaction is created and one of the species achieves competitive success. It is most effective as a result of the release of chemicals by macrophytes into the aquatic environment. Therefore, allelopathy plays a significant role in the formation, stabilization, and dynamics of the structure of plant communities.
Comparative Evaluation of the Nutrients, Phytochemicals, and Antioxidant Activity of Two Hempseed Oils and Their Byproducts after Cold Pressing
Authors: Occhiuto Cristina , Aliberto Gianluigi , Ingegneri Mariarosaria , Trombetta Domenico , Circosta Clara , Smeriglio Antonella
Published: May 2022

Recently, there has been a growing interest in the recovery of agri-food waste within the circular economy perspective. In this study, the nutritional, phytochemical, and biological features of the cold-pressed hempseed oil (HSO) and hempseed meal (HSM) of two industrial hemp varieties (USO 31 and Futura 75, THC ≤ 0.2%) were evaluated. The HSOs showed a high total phenols and flavonoid content, which were confirmed by LC-DAD-ESI-MS analysis, with rutin as the most abundant compound (56.93–77.89 µg/100 FW). They also proved to be a rich source of tocopherols (81.69–101.45 mg/100 g FW) and of a well-balanced ω-6 to ω-3 fatty acid ratio (3:1) with USO 31, which showed the best phytochemical profile and consequently the best antioxidant activity (about two times higher than Futura 75). The HSMs still retained part of the phytochemicals identified in the HSOs (polyphenols, tocopherols, and the preserved ω-6/ω-3 fatty acids ratio) and a modest antioxidant activity. Furthermore, they showed a very interesting nutritional profile, which was very rich in proteins (29.88–31.44 g/100 g FW), crude fibers (18.39–19.67 g/100 g), and essential and non-essential amino acids. Finally, only a restrained amount of anti-nutritional factors (trypsin inhibitors, phytic acid, and condensed tannins) was found, suggesting a promising re-use of these byproducts in the nutraceutical field.
Preparation of Magnetic MIL-68(Ga) Metal–Organic Framework and Heavy Metal Ion Removal Application
Authors: Zhang Youjun , Liu Licong , Yu Dixiong , Liu Jinglan , Zhao Lin , Liu Jinpeng , Liu Shuo
Published: May 2022

A magnetic metal–organic framework nanocomposite (magnetic MIL-68(Ga)) was synthesized through a “one pot” reaction and used for heavy metal ion removal. The morphology and elemental properties of the nanocomposite were characterized by scanning electron microscopy (SEM), Fourier transform infrared (FT-IR), X-ray powder diffraction (XRD), as well as zeta potential. Moreover, the factors affecting the adsorption capacity of the nanocomposite, including time, pH, metal ion type and concentration, were studied. It was found that the adsorption capacity of magnetic MIL-68(Ga) for Pb2+ and Cu2+ was 220 and 130 mg/g, respectively. Notably, the magnetic adsorbents could be separated easily using an external magnetic field, regenerated by ethylenediaminetetraacetic acid disodium salt (EDTA-Na2) and reused three times, in favor of practical application. This study provides a reference for the rapid separation and purification of heavy metal ions from wastewater.
On the Pathomorphological Pattern of the Efficiency of Photodynamic Therapy of Murine Melanoma B16 Using a New Photosensitizer Based on Chlorin e6 Conjugate with a Prostate-Specific Membrane Antigen
Authors: Abramova Olga B. , Demyashkin Grigory A. , Drozhzhina Valentina V. , Yakovleva Nina D. , Kozlovtseva Ekaterina A. , Sivovolova Tatiana P. , Shegay Petr V. , Ivanov Sergey A. , Kaprin Andrey D.
Published: May 2022

Photodynamic therapy (PDT) is an effective treatment for a number of solid malignancies. In this work, the antitumor efficacy of photodynamic therapy for murine B16 melanoma with intravenous administration of a new photosensitizer (PS) based on the chlorin e6 conjugate with a prostate-specific membrane antigen (PSMA) was studied in vivo. We have previously published the data obtained in the first part of the study: the dynamics of PS accumulation in the tumor and surrounding tissues and the antitumor efficacy of the photodynamic therapy, which was evaluated by the regression parameters and morphological characteristics of the tumors—including by the complete regression of the tumors, the absolute growth rate of the tumors among the mice with continued tumor growth, and an increase in life expectancy compared to the control. The criterion for a complete cure was the absence of signs of tumor recurrence within 90 days after therapy. The conducted studies demonstrated the high efficiency of the new photosensitizer for the photodynamic therapy of B16 melanoma. This article presents a continuation of this work, including histological studies of the zones exposed to laser irradiation on the 21st day after treatment and an assessment of the therapeutic potential of photodynamic therapy for the destruction of tumor cells. Pathological studies in the zones of photodynamic exposure revealed that the effectiveness of the PDT depended on the PS dose and the laser irradiation parameters.
Insights into Aptamer–Drug Delivery Systems against Prostate Cancer
Authors: Wang Xueni , Zhou Qian , Li Xiaoning , Gan Xia , Liu Peng , Feng Xiaotao , Fang Gang , Liu Yonghong
Published: May 2022

Prostate cancer is a common cancer in elderly males. Significant progress has been made in the drug therapies for prostate cancer in recent years. However, side effects are still problems that have not been overcome by the currently used anti-prostate cancer drugs. Novel technologies can be applied to reduce or even eliminate the side effects of drugs. An aptamer may be a sequence of nucleic acids or peptides that can specifically recognize proteins or cells. Taking advantage of this feature, scientists have designed aptamer–drug delivery systems for the development of anti-prostate cancer agents. Theoretically, these aptamer–drug delivery systems can specifically recognize prostate cancer cells and then induce cell death without attacking normal cells. We collected the relevant literature in this field and found that at least nine compounds have been prepared as aptamer–drug delivery systems to evaluate their precise anti-prostate cancer effects. However, the currently studied aptamer–drug delivery systems have not yet entered the market due to defects. Here, we analyze the published data, summarize the characteristics of these delivery systems, and propose ways to promote their application, thus promoting the development of the aptamer–drug delivery systems against prostate cancer.
Concentration Dependence of Anti- and Pro-Oxidant Activity of Polyphenols as Evaluated with a Light-Emitting Fe2+-Egta-H2O2 System
Authors: Nowak Michal , Tryniszewski Wieslaw , Sarniak Agata , Wlodarczyk Anna , Nowak Piotr J. , Nowak Dariusz
Published: May 2022

Hydroxyl radical (•OH) scavenging and the regeneration of Fe2+ may inhibit or enhance peroxidative damage induced by a Fenton system, respectively. Plant polyphenols reveal the afore-mentioned activities, and their cumulative net effect may determine anti- or pro-oxidant actions. We investigated the influence of 17 phenolics on ultra-weak photon emission (UPE) from a modified Fenton system (92.6 µmol/L Fe2+, 185.2 µmol/L EGTA (ethylene glycol-bis(β-aminoethyl-ether)-N,N,N′,N,-tetraacetic acid) and 2.6 mmol/L H2O2 pH = 7.4). A total of 8 compounds inhibited (antioxidant effect), and 5 enhanced (pro-oxidant effect) UPE at all studied concentrations (5 to 50 µmol/L). A total of 4 compounds altered their activity from pro- to antioxidant (or vice versa) along with increasing concentrations. A total of 3 the most active of those (ferulic acid, chlorogenic acid and cyanidin 3-O-glucoside; mean UPE enhancement by 63%, 5% and 445% at 5 µmol/L; mean UPE inhibition by 28%, 94% and 24% at 50 µmol/L, respectively) contained catechol or methoxyphenol structures that are associated with effective •OH scavenging and Fe2+ regeneration. Most likely, these structures can determine the bidirectional, concentration-dependent activity of some phenolics under stable in vitro conditions. This is because the concentrations of the studied compounds are close to those occurring in human fluids, and this phenomenon should be considered in the case of dietary supplementation with isolated phenolics.
Novel Lysosome-Targeting Fluorescence Off-On Photosensitizer for Near-Infrared Hypoxia Imaging and Photodynamic Therapy In Vitro and In Vivo
Authors: Ding Shangli , Yang Mingyan , Lv Jiajia , Li Hongyu , Wei Gang , Gao Jie , Yuan Zeli
Published: May 2022

Photodynamic therapy (PDT) has emerged as a new antitumor modality. Hypoxia, a vital characteristic of solid tumors, can be explored to stimulate the fluorescence response of photosensitizers (PSs). Considering the characteristics of PDT, the targeting of organelles employing PS would enhance antitumor effects. A new multifunctional cyanine-based PS (CLN) comprising morpholine and nitrobenzene groups was prepared and characterized. It generated fluorescence in the near-infrared (NIR) region in the presence of sodium dithionite (Na2S2O4) and nitroreductase (NTR). The response mechanism of CLN was well investigated, thus revealing that its obtained reduction product was CLNH. The obtained fluorescence and singlet oxygen quantum yield of CLNH were 8.65% and 1.60%, respectively. Additionally, the selective experiment for substrates indicated that CLN exhibited a selective response to NTR. Thus, CLN fluorescence could be selectively switched on and its fluorescence intensity increased, following a prolonged stay in hypoxic cells. Furthermore, fluorescence colocalization demonstrated that CLN could effectively target lysosomes. CLN could generate reactive oxygen species and kill tumor cells (IC50 for 4T1 cells was 7.4 μM under a hypoxic condition), following its response to NTR. NIR imaging and targeted PDT were finally applied in vivo.
Gel Property of Soy Protein Emulsion Gel: Impact of Combined Microwave Pretreatment and Covalent Binding of Polyphenols by Alkaline Method
Authors: Xu Jing , Teng Fei , Wang Baiqi , Ruan Xinxuan , Ma Yifan , Zhang Dingyuan , Zhang Yan , Fan Zhijun , Jin Hua
Published: May 2022

This study investigated the effects of microwave modification, alkali polyphenol (ferulic acid) covalently combined modification, and microwave-alkali polyphenol covalently combined modification on the gel properties of soy protein emulsions. The results showed that the properties of soy protein emulsions were improved significantly by the three modification methods. After three kinds of modification, the viscoelasticity of soy protein emulsion gel increased, and a gel system with stronger elasticity was formed. The texture, water-holding, and hydration properties of the emulsion gel increased significantly. The SEM and ClSM results showed that the modified soy protein emulsion gel had a more compact and uniform porous structure, and the oil droplets could be better embedded in the network structure of the gel. Among the three modification methods, the microwave-alkali method polyphenol covalently combining the compound modification effect was best, and the microwave modification effect was least effective compared to the other two methods. Our obtained results suggested that for gel property modification of soy protein emulsion gels, microwave pretreatment combined with the covalent binding of polyphenols by an alkaline method is an effective method.
Stability and Anti-Aging of Encapsulated Ferulic Acid in Phosphorylated Rice Starch
Authors: Pueknang Jittraporn , Saewan Nisakorn
Published: May 2022

Ferulic acid (FA) provides broad biological functions that have been used in cosmetics formulation as a photoprotection, anti-aging, and brightening agent. However, its application is limited by its tendency to deteriorate by exposure to heat, humidity, and light. This study aimed to enhance the stability of FA by encapsulation in phosphorylated rice starch (PRS) and evaluate its effect on improving human skin. First, FA was encapsulated in PRS and characterized by FTIR, SEM, XRD, and DSC. Then, its stability when exposed to a temperature of 45 °C and light and its anti-aging effect on 16 volunteers were investigated. The results indicated that FA was successfully encapsulated in PRS with an encapsulation yield of 77%, EE (73%) and LE (65%). After 1 month at the high temperature/80%RH, the encapsulated FA retained its quantity (70%), whereas free FA was retained at only 50%. Under light exposure conditions, the encapsulated FA was retained at 65%, which was higher than FA (35%). Franz diffusion cell was used and demonstrated that PRS provided the controlled release of FA. Application of encapsulated FA and FA creams showed an absence of skin irritation in all volunteers. After 1 month, the encapsulated FA cream was found to be better than the FA cream on skin lightening, elasticity, smoothness, roughness, scaliness, and wrinkle. The results indicated that PRS is a potential wall material for enhancing the stability of FA, resulting in more efficacious skin lightening and anti-aging properties.
Chemical Constituents, Antioxidant, Anti-Tyrosinase, Cytotoxicity, and Anti-Melanogenesis Activities of Etlingera elatior (Jack) Leaf Essential Oils
Authors: Sangthong Sarita , Promputtha Itthayakorn , Pintathong Punyawatt , Chaiwut Phanuphong
Published: May 2022

Essential oils of plants have been used widely in cosmetic preparations. Being both perfuming and active ingredients, the functions of essential oils mean they are high-value ingredients. In this study, the leaf of Etlingera elatior (Jack) or Torch ginger was used. The essential oils (EO) were prepared by conventional hydrodistillation (HD) and microwave-assisted hydrodistillation (MAHD). The volatile compounds of EOs were analyzed by gas chromatography spectroscopy (GC-MS). The antioxidant activities by means of DPPH radical scavenging and ferric-reducing antioxidant power (FRAP) were determined. The inhibition of tyrosinase activity was investigated. The cytotoxicity was performed against human fibroblast cell lines (NIH/3T3) and melanoma cell lines (A375 and B16F10). The decreasing melanin content was measured in melanoma cell lines. The resulting essential oils were detected for 41 compounds from HD extraction dominants by terpenes, namely sesquiterpenes (48.499%) and monoterpenes (19.419%), while 26 compounds were detected from MAHD with the fatty alcohols as the major group. The higher antioxidant activities were found in HD EO (IC50 of 16.25 ± 0.09 mg/mL from DPPH assay and 0.91 ± 0.01 mg TEAC/g extract from FRAP assay). The survival of normal fibroblast cell lines remained at 90% at 500 µg/mL HD EO, where the EO possessed the half-maximal toxicity dose (TD50) of 214.85 ± 4.647 and 241.128 ± 2.134 μg/mL on B16F10 and A375 cell lines, respectively. This could suggest that the EO is highly selective against the melanoma cell lines. The melanin content was decreased at the half-maximum efficacy (IC50) at 252.12 ± 3.02 and 253.56 ± 3.65 in the A375 and B1610 cell lines, respectively, which were approximately 2.8-fold lower than kojic acid, the standard compound. The results of this study evidence the use of Etlingera elatior (Jack) leaf as a source of essential oil as an active agent in cosmetics.
Phytoecdysteroids from Serratula coronata L. for Psoriatic Skincare
Authors: Kroma Anna , Pawlaczyk Mariola , Feliczak-Guzik Agnieszka , Urbańska Maria , Jenerowicz Dorota , Seraszek-Jaros Agnieszka , Kikowska Małgorzata , Gornowicz-Porowska Justyna
Published: May 2022

Phytoecdysones from Serratula coronata seem to be promising agents for skincare in patients with psoriasis. The aim of the study was to determine the effects of creams containing the extract of S. coronata on psoriatic lesions. Creams with different formulas were prepared: 0-Lekobaza®, 1-Lekobaza®, S. coronata, 2-Lekobaza®, Salicylic acid, 3-Lekobaza®, S. coronata, Salicylic acid. After examination of skin penetration and biosafety, the designated cream was applied twice daily for 6 weeks on 72 psoriatic plaques located on elbows or knees. The lesions were assessed at baseline and follow-up of 6 weeks. The lesions area was measured, and severity of scaling, erythema, and infiltration was assessed using a 5-point scale (from 0—none to 4—very severe). Skin hydration and structure, pH, transepidermal water loss, erythema, and melanin index were analyzed instrumentally. Creams 1, 2, and 3 significantly reduced the area of psoriatic plaques. Improvement in erythema and infiltration was observed for creams 1 and 3. Creams 1–3 reduced scaling. Our study confirmed a beneficial effect of creams containing S. coronata extract on psoriatic lesions.
Chemico-Pharmacological Screening of the Methanol Extract of Gynura nepalensis D.C. Deciphered Promising Antioxidant and Hepatoprotective Potentials: Evidenced from in vitro, in vivo, and Computer-Aided Studies
Authors: Chakrabarty Nishan , Chung Hea-Jong , Alam Rashedul , Emon Nazim Uddin , Alam Safaet , Kabir Mohammed Fazlul , Islam Md. Minarul , Hong Seong-Tshool , Sarkar Tapas , Sarker Md. Moklesur Rahman , Rahman Mohammad Manjur
Published: May 2022

Gynura nepalensis D.C. (family: Asteraceae) has abundant uses in the alternative medicinal practice, and this species is commonly used in the treatment of diabetes, rheumatism, cuts or wounds, asthma, kidney stones, cough, urinary tract bleeding, gall bladder stones, hepatitis, diarrhea, hemorrhoids, constipation, vomiting, fertility problems, blood poisoning, septicemia, skin allergy, indigestion, high cholesterol levels, and so on. This study aims to investigate the hepatoprotective and antioxidant potential of the methanol extract of the Gynura nepalensis D.C. (GNME) along with chemical profiling with phytochemical screening. Moreover, prospective phytocompounds have been screened virtually to present the binding affinity of the bioactive components to the hepatic and oxidative receptors. In the hepatoprotective study, alanine transaminase (ALT), aspartate aminotransferase (AST), alkaline phosphatase (ALP), total protein (TP), and lipid peroxidation (LP) and total bilirubin (TB) have been assessed, and in the antioxidant study, the DPPH free radical scavenging, total antioxidant flavonoid, and phenolic contents were determined. Moreover, the molecular binding affinity of the bioactive component of the plant has been analyzed using PyRx AutoDock Vina, Chimera, and Discovery Studio software. The plant extract showed dose-dependent hepatoprotective potential (p < 0.05, 0.01, 0.001) as well as strong antioxidant properties. Moreover, hepatoprotective and antioxidant molecular docking studies revealed a result varying from −2.90 kcal/mol to −10.1 kcal/mol. 4,5-dicaffeoylquinic acid and chlorogenic acid revealed the highest binding affinity among the selected molecules. However, the plant showed portent antioxidant and hepatoprotective properties in the in vitro, in vivo, and in silico models, and it is presumed that the hepatoprotective properties of the plant extract have occurred due to the presence of the vast bioactive chemical compounds as well as their antioxidant properties. Therefore, advanced studies are recommended to elucidate the pharmacological properties of the plant extracts.
Quinine Esters with 1,2-Azole, Pyridine and Adamantane Fragments
Authors: Mukusheva Gulim K. , Zhasymbekova Aigerym R. , Seidakhmetova Roza B. , Nurkenov Oralgazy A. , Akishina Ekaterina A. , Petkevich Sergey K. , Dikusar Evgenij A. , Potkin Vladimir I.
Published: May 2022

An efficient method of producing quinine derivatives via reaction of acylation with 4,5-dichloroisothiazole-3-, 5-arylisoxazole-3-, adamantane- and hydrochlorides of pyridine-3- and pyridine-4-carbonyl chlorides was developed. All synthesized compounds were tested for antiviral, antimicrobial and analgesic activity. The most pronounced antibacterial activity was shown by the compounds 2e, 3b, 3c and 3e with isoxazole and pyridine fragments. It was found that most of the tested compounds showed significant analgesic activity reducing the pain response of animals to the irritating effect of acetic acid.
Phyto-Enrichment of Yogurt to Control Hypercholesterolemia: A Functional Approach
Authors: Kumar Harsh , Bhardwaj Kanchan , Cruz-Martins Natália , Sharma Ruchi , Siddiqui Shahida Anusha , Dhanjal Daljeet Singh , Singh Reena , Chopra Chirag , Dantas Adriana , Verma Rachna , Dosoky Noura S. , Kumar Dinesh
Published: May 2022

Cholesterol is essential for normal human health, but elevations in its serum levels have led to the development of various complications, including hypercholesterolemia (HC). Cholesterol accumulation in blood circulation formsplaques on artery walls and worsens the individuals’ health. To overcome this complication, different pharmacological and non-pharmacological approaches are employed to reduce elevated blood cholesterol levels. Atorvastatin and rosuvastatin are the most commonly used drugs, but their prolonged use leads to several acute side effects. In recent decades, the potential benefit of ingesting yogurt on lipid profile has attracted the interest of researchers and medical professionals worldwide. This review aims to give an overview of the current knowledge about HC and the different therapeutic approaches. It also discusses the health benefits of yogurt consumption and highlights the overlooked phyto-enrichment option to enhance the yogurt’s quality. Finally, clinical studies using different phyto-enriched yogurts for HC management are also reviewed. Yogurt has a rich nutritional value, but its processing degrades the content of minerals, vitamins, and other vital constituents with beneficial health effects. The option of enriching yogurt with phytoconstituents has drawn a lot of attention. Different pre-clinical and clinical studies have provided new insights on their benefits on gut microbiota and human health. Thus, the yogurtphyto-enrichment with stanol and β-glucan have opened new paths in functional food industries and found healthy andeffective alternatives for HC all along with conventional treatment approaches.
Bio-Herbicidal Potential of Nanoemulsions with Peppermint Oil on Barnyard Grass and Maize
Authors: Rys Magdalena , Miastkowska Małgorzata , Sikora Elżbieta , Łętocha Anna , Krajewska Agnieszka , Synowiec Agnieszka
Published: May 2022

Bio-based nanoemulsions are part of green pest management for sustainable agriculture. This study assessed the physicochemical properties and the herbicidal activities of the peppermint essential oil nanoemulsions (PNs) in concentrations 1.0–10% stabilized by Eco-Polysorbate 80 on germinating seeds and young plants of maize and barnyard grass. Based on the design of experiment (DOE) results, the final nanoemulsion formulations were obtained with 1, 1.5, 2, and 5% of essential oil concentration. Biological analyses were conducted to select the most promising sample for selective control of barnyard grass in maize. Seedlings growing in the presence of PNs displayed an overall inhibition of metabolism, as expressed by the calorimetric analyses, which could result from significant differences in both content and composition of carbohydrates. Concentration–response sub estimation showed that leaf-sprayed concentration of PN causing 10% of maize damage is equal to 2.2%, whereas doses causing 50% and 90% of barnyard grass damage are 1.1% and 1.7%, respectively. Plants sprayed with PN at 5% or 10% concentration caused significant drops in relative water content in leaves and Chlorophyll a fluorescence 72 h after spraying. In summary, peppermint nanoemulsion with Eco-Polysorbate 80 at 2% concentration is a perspective preparation for selective control of barnyard grass in maize. It should be analyzed further in controlled and field conditions.
Effective Components and Molecular Mechanism of Agarwood Essential Oil Inhalation and the Sedative and Hypnotic Effects Based on GC-MS-Qtof and Molecular Docking
Authors: Wang Canhong , Wang Yunyun , Gong Bao , Wu Yulan , Chen Xiqin , Liu Yangyang , Wei Jianhe
Published: May 2022

Agarwood has been used for the administration of hypnotic therapy. Its aromatic scent induces a relaxed state. However, its aromatic constituents and the underlying molecular effect are still unclear. This study aims to determine the active substance and molecular mechanism of the hypnotic effect of agarwood essential oil (AEO) incense inhalation in insomniac mice. Insomnia models were induced by para-chlorophenylalanine (PCPA, 300 mg/kg) in mice. The sleep-promoting effect was evaluated. Neurotransmitter levels and its receptor were detected to explore the molecular mechanism. The effective components were analyzed by GC-Q/TOF-MS of AEO. The binding mechanisms of the core compounds and core targets were verified by molecular docking. These results showed that AEO inhalation could significantly shorten sleep latency and prolong sleep time, inhibit autonomous activity and exert good sedative and sleep-promoting effects. A mechanistic study showed that AEO inhalation increased the levels of γ-aminobutyric acid (GABAA), the GABAA/glutamic acid (Glu) ratio, 5-hydroxytryptamine (5-HT) and adenosine (AD), upregulated the expression levels of GluR1, VGluT1 and 5-HT1A and downregulated 5-HT2A levels. Component analysis showed that the most abundant medicinal compounds were eremophilanes, cadinanes and eudesmanes. Moreover, the docking results showed that the core components stably bind to various receptors. The study demonstrated the bioactive constituents and mechanisms of AEO in its sedative and hypnotic effects and its multicomponent, multitarget and multipathway treatment characteristics in PCPA-induced insomniac mice. These results provide theoretical evidence for insomnia treatment and pharmaceutical product development with AEO.
Dually Responsive Poly(N-vinylcaprolactam)-b-poly(dimethylsiloxane)-b-poly(N-vinylcaprolactam) Polymersomes for Controlled Delivery
Authors: Kozlovskaya Veronika , Yang Yiming , Liu Fei , Ingle Kevin , Ahmad Aftab , Halade Ganesh V. , Kharlampieva Eugenia
Published: May 2022

Limited tissue selectivity and targeting of anticancer therapeutics in systemic administration can produce harmful side effects in the body. Various polymer nano-vehicles have been developed to encapsulate therapeutics and prevent premature drug release. Dually responsive polymeric vesicles (polymersomes) assembled from temperature-/pH-sensitive block copolymers are particularly interesting for the delivery of encapsulated therapeutics to targeted tumors and inflamed tissues. We have previously demonstrated that temperature-responsive poly(N-vinylcaprolactam) (PVCL)-b-poly(dimethylsiloxane) (PDMS)-b-PVCL polymersomes exhibit high loading efficiency of anticancer therapeutics in physiological conditions. However, the in-vivo toxicity of these polymersomes as biocompatible materials has not yet been explored. Nevertheless, developing an advanced therapeutic nanocarrier must provide the knowledge of possible risks from the material’s toxicity to support its future clinical research in humans. Herein, we studied pH-induced degradation of PVCL10-b-PDMS65-b-PVCL10 vesicles in-situ and their dually (pH- and temperature-) responsive release of the anticancer drug, doxorubicin, using NMR, DLS, TEM, and absorbance spectroscopy. The toxic potential of the polymersomes was evaluated in-vivo by intravenous injection (40 mg kg−1 single dose) of PVCL10-PDMS65-PVCL10 vesicles to mice. The sub-acute toxicity study (14 days) included gravimetric, histological, and hematological analyses and provided evidence for good biocompatibility and non-toxicity of the biomaterial. These results show the potential of these vesicles to be used in clinical research.
“For Asia Market Only”: A Green Tattoo Ink between Safety and Regulations
Authors: Bauer Elvira M. , Cecchetti Daniele , Guerriero Ettore , Quaranta Simone , Ripanti Francesca , Postorino Paolo , Tagliatesta Pietro , Carbone Marilena
Published: May 2022

Due to the increasing tattoo practicing in Eastern countries and general concern on tattoo ink composition and safety, the green tattoo inks Green Concentrate by Eternal, for European and “for Asia Market Only” were analyzed, under the premise that only the former falls under a composition regulation. A separation of the additives from the pigment was carried out by successive extraction in solvents of different polarities, i.e., water, acetone and dichloromethane. The solid residues were analyzed by IR and Raman spectroscopies, the liquid fractions by GC/mass spectrometry. The relative pigment load and element traces were also estimated. We found that the European and the Asian inks are based on the same pigment, PG7, restricted in Europe, though at different loads. They have a similar content of harmful impurities, such as Ni, As, Cd and Sb and both contain siloxanes, including harmful D4. Furthermore, they have different physical-chemical properties, the European ink being more hydrophilic, the Asian more hydrophobic. Additionally, the Asian ink contains harmful additives for the solubilization of hydrophobic matrices and by-products of the phthalocyanine synthesis. Teratogenic phthalates are present as well as chlorinated teratogenic and carcinogenic compounds usually associated to the laser treatment for removal purposes, to a larger extent in the European ink. The composition of the inks does not seem to reflect regulatory restrictions, where issued.
Sesquiterpene Lactones as Promising Candidates for Cancer Therapy: Focus on Pancreatic Cancer
Authors: Laurella Laura Cecilia , Mirakian Nadia Talin , Garcia Maria Noé , Grasso Daniel Héctor , Sülsen Valeria Patricia , Papademetrio Daniela Laura
Published: May 2022

Pancreatic ductal adenocarcinoma (PDAC) is a highly aggressive disease which confers to patients a poor prognosis at short term. PDAC is the fourth leading cause of death among cancers in the Western world. The rate of new cases of pancreatic cancer (incidence) is 10 per 100,000 but present a 5-year survival of less than 10%, highlighting the poor prognosis of this pathology. Furthermore, 90% of advanced PDAC tumor present KRAS mutations impacting in several oncogenic signaling pathways, many of them associated with cell proliferation and tumor progression. Different combinations of chemotherapeutic agents have been tested over the years without an improvement of significance in its treatment. PDAC remains as one the more challenging biomedical topics thus far. The lack of a proper early diagnosis, the notable mortality statistics and the poor outcome with the available therapies urge the entire scientific community to find novel approaches against PDAC with real improvements in patients’ survival and life quality. Natural compounds have played an important role in the process of discovery and development of new drugs. Among them, terpenoids, such as sesquiterpene lactones, stand out due to their biological activities and pharmacological potential as antitumor agents. In this review, we will describe the sesquiterpene lactones with in vitro and in vivo activity against pancreatic tumor cells. We will also discuss the mechanism of action of the compounds as well as the signaling pathways associated with their activity.
Personalized Medicine in Mitochondrial Health and Disease: Molecular Basis of Therapeutic Approaches Based on Nutritional Supplements and Their Analogs
Authors: Tragni Vincenzo , Primiano Guido , Tummolo Albina , Cafferati Beltrame Lucas , La Piana Gianluigi , Sgobba Maria Noemi , Cavalluzzi Maria Maddalena , Paterno Giulia , Gorgoglione Ruggiero , Volpicella Mariateresa , Guerra Lorenzo , Marzulli Domenico , Servidei Serenella , De Grassi Anna , Petrosillo Giuseppe , Lentini Giovanni , Pierri Ciro Leonardo
Published: May 2022

Mitochondrial diseases (MDs) may result from mutations affecting nuclear or mitochondrial genes, encoding mitochondrial proteins, or non-protein-coding mitochondrial RNA. Despite the great variability of affected genes, in the most severe cases, a neuromuscular and neurodegenerative phenotype is observed, and no specific therapy exists for a complete recovery from the disease. The most used treatments are symptomatic and based on the administration of antioxidant cocktails combined with antiepileptic/antipsychotic drugs and supportive therapy for multiorgan involvement. Nevertheless, the real utility of antioxidant cocktail treatments for patients affected by MDs still needs to be scientifically demonstrated. Unfortunately, clinical trials for antioxidant therapies using α-tocopherol, ascorbate, glutathione, riboflavin, niacin, acetyl-carnitine and coenzyme Q have met a limited success. Indeed, it would be expected that the employed antioxidants can only be effective if they are able to target the specific mechanism, i.e., involving the central and peripheral nervous system, responsible for the clinical manifestations of the disease. Noteworthily, very often the phenotypes characterizing MD patients are associated with mutations in proteins whose function does not depend on specific cofactors. Conversely, the administration of the antioxidant cocktails might determine the suppression of endogenous oxidants resulting in deleterious effects on cell viability and/or toxicity for patients. In order to avoid toxicity effects and before administering the antioxidant therapy, it might be useful to ascertain the blood serum levels of antioxidants and cofactors to be administered in MD patients. It would be also worthwhile to check the localization of mutations affecting proteins whose function should depend (less or more directly) on the cofactors to be administered, for estimating the real need and predicting the success of the proposed cofactor/antioxidant-based therapy.
From By-Products to Fertilizer: Chemical Characterization Using UPLC-QToF-MS via Suspect and Non-Target Screening Strategies
Authors: Panara Anthi , Gikas Evagelos , Thomaidis Nikolaos S.
Published: May 2022

The increasing demands of agriculture and the food market have resulted in intensive agricultural practices using synthetic fertilizers to maximize production. However, significant efforts have been made to implement more environmentally friendly procedures, such as composting, to overcome the adverse impact of these invasive practices. In the terms of this research, composting was applied to the production of two biofertilizers, using onion and mushroom by-products as raw materials respectively. The main purposes of this work were to identify the compounds that pass from the raw materials to the final products (onion-based and mushroom-based), as well as the characterization of the chemical profile of these final products following suspect and non-target screening workflows via UPLC-qToF-MS. Overall, 14 common compounds were identified in the onion and its final product, while 12 compounds were found in the mushroom and its corresponding product. These compounds belong to fatty acids, organic acids, and flavonoids, which could be beneficial to plant health. The determination of parameters, such as the pH, conductivity, organic matter, nitrogen content, and elemental analysis, were conducted for the overall characterization of the aforementioned products.
Recent Progress in Graphene-Based Electrocatalysts for Hydrogen Evolution Reaction
Authors: Qin Xupeng , Ola Oluwafunmilola , Zhao Jianyong , Yang Zanhe , Tiwari Santosh K. , Wang Nannan , Zhu Yanqiu
Published: May 2022

Hydrogen is regarded as a key renewable energy source to meet future energy demands. Moreover, graphene and its derivatives have many advantages, including high electronic conductivity, controllable morphology, and eco-friendliness, etc., which show great promise for electrocatalytic splitting of water to produce hydrogen. This review article highlights recent advances in the synthesis and the applications of graphene-based supported electrocatalysts in hydrogen evolution reaction (HER). Herein, powder-based and self-supporting three-dimensional (3D) electrocatalysts with doped or undoped heteroatom graphene are highlighted. Quantum dot catalysts such as carbon quantum dots, graphene quantum dots, and fullerenes are also included. Different strategies to tune and improve the structural properties and performance of HER electrocatalysts by defect engineering through synthetic approaches are discussed. The relationship between each graphene-based HER electrocatalyst is highlighted. Apart from HER electrocatalysis, the latest advances in water electrolysis by bifunctional oxygen evolution reaction (OER) and HER performed by multi-doped graphene-based electrocatalysts are also considered. This comprehensive review identifies rational strategies to direct the design and synthesis of high-performance graphene-based electrocatalysts for green and sustainable applications.
Magnetite Nanoparticles in Magnetic Hyperthermia and Cancer Therapies: Challenges and Perspectives
Authors: Włodarczyk Agnieszka , Gorgoń Szymon , Radoń Adrian , Bajdak-Rusinek Karolina
Published: May 2022

Until now, strategies used to treat cancer are imperfect, and this generates the need to search for better and safer solutions. The biggest issue is the lack of selective interaction with neoplastic cells, which is associated with occurrence of side effects and significantly reduces the effectiveness of therapies. The use of nanoparticles in cancer can counteract these problems. One of the most promising nanoparticles is magnetite. Implementation of this nanoparticle can improve various treatment methods such as hyperthermia, targeted drug delivery, cancer genotherapy, and protein therapy. In the first case, its feature makes magnetite useful in magnetic hyperthermia. Interaction of magnetite with the altered magnetic field generates heat. This process results in raised temperature only in a desired part of a patient body. In other therapies, magnetite-based nanoparticles could serve as a carrier for various types of therapeutic load. The magnetic field would direct the drug-related magnetite nanoparticles to the pathological site. Therefore, this material can be used in protein and gene therapy or drug delivery. Since the magnetite nanoparticle can be used in various types of cancer treatment, they are extensively studied. Herein, we summarize the latest finding on the applicability of the magnetite nanoparticles, also addressing the most critical problems faced by smart nanomedicine in oncological therapies.