bluuebunny/crossref_metadata_2025 huggingface dataset:
Structure-Based Discovery of ABCG2 Inhibitors: A Homology Protein-Based Pharmacophore Modeling and Molecular Docking Approach
Authors: Le Minh-Tri , Hoang Viet-Nham , Nguyen Dac-Nhan , Bui Thi-Hoang-Linh , Phan Thien-Vy , Huynh Phuong Nguyen-Hoai , Tran Thanh-Dao , Thai Khac-Minh
Published: May 2021

ABCG2 is an ABC membrane protein reverse transport pump, which removes toxic substances such as medicines out of cells. As a result, drug bioavailability is an unexpected change and negatively influences the ADMET (absorption, distribution, metabolism, excretion, and toxicity), leading to multi-drug resistance (MDR). Currently, in spite of promising studies, screening for ABCG2 inhibitors showed modest results. The aim of this study was to search for small molecules that could inhibit the ABCG2 pump. We first used the WISS MODEL automatic server to build up ABCG2 homology protein from 655 amino acids. Pharmacophore models, which were con-structed based on strong ABCG2 inhibitors (IC50 < 1 μM), consist of two hydrophobic (Hyd) groups, two hydrogen bonding acceptors (Acc2), and an aromatic or conjugated ring (Aro|PiR). Using molecular docking method, 714 substances from the DrugBank and 837 substances from the TCM with potential to inhibit the ABCG2 were obtained. These chemicals maybe favor synthesized or extracted and bioactivity testing.
Cordycepin Inhibits Virus Replication in Dengue Virus-Infected Vero Cells
Authors: Panya Aussara , Songprakhon Pucharee , Panwong Suthida , Jantakee Kanyaluck , Kaewkod Thida , Tragoolpua Yingmanee , Sawasdee Nunghathai , Lee Vannajan Sanghiran , Nimmanpipug Piyarat , Yenchitsomanus Pa-thai
Published: May 2021

Dengue virus (DENV) infection causes mild to severe illness in humans that can lead to fatality in severe cases. Currently, no specific drug is available for the treatment of DENV infection. Thus, the development of an anti-DENV drug is urgently required. Cordycepin (3′-deoxyadenosine), which is a major bioactive compound in Cordyceps (ascomycete) fungus that has been used for centuries in Chinese traditional medicine, was reported to exhibit antiviral activity. However, the anti-DENV activity of cordycepin is unknown. We hypothesized that cordycepin exerts anti-DENV activity and that, as an adenosine derivative, it inhibits DENV replication. To test this hypothesis, we investigated the anti-DENV activity of cordycepin in DENV-infected Vero cells. Cordycepin treatment significantly decreased DENV protein at a half-maximal effective concentration (EC50) of 26.94 μM. Moreover, DENV RNA was dramatically decreased in cordycepin-treated Vero cells, indicating its effectiveness in inhibiting viral RNA replication. Via in silico molecular docking, the binding of cordycepin to DENV non-structural protein 5 (NS5), which is an important enzyme for RNA synthesis, at both the methyltransferase (MTase) and RNA-dependent RNA polymerase (RdRp) domains, was predicted. The results of this study demonstrate that cordycepin is able to inhibit DENV replication, which portends its potential as an anti-dengue therapy.
Comparative Structural Study of Three Tetrahalophthalic Anhydrides: Recognition of X···O(anhydride) Halogen Bond and πh···O(anhydride) Interaction
Authors: Baykov Sergey V. , Semenov Artem V. , Katlenok Eugene A. , Shetnev Anton A. , Bokach Nadezhda A.
Published: May 2021

Structures of three tetrahalophthalic anhydrides (TXPA: halogen = Cl (TCPA), Br (TBPA), I (TIPA)) were studied by X-ray diffraction, and several types of halogen bonds (HaB) and lone pair···π-hole (lp···πh) contacts were revealed in their structures. HaBs involving the central oxygen atom of anhydride group (further X···O(anhydride) were recognized in the structures of TCPA and TBPA. In contrast, for the O(anhydride) atom of TIPA, only interactions with the π system (π-hole) of the anhydride ring (further lp(O)···πh) were observed. Computational studies by a number of theoretical methods (molecular electrostatic potentials, the quantum theory of atoms in molecules, the independent gradient model, natural bond orbital analyses, the electron density difference, and symmetry-adapted perturbation theory) demonstrated that the X···O(anhydride) contacts in TCPA and TBPA and lp(O)···πh in TIPA are caused by the packing effect. The supramolecular architecture of isostructural TCPA and TBPA was mainly affected by X···O(acyl) and X···X HaBs, and, for TIPA, the main contribution provided I···I HaBs.
Synthesis and Characterization of Some New Quinoxalin-2(1H)one and 2-Methyl-3H-quinazolin-4-one Derivatives Targeting the Onset and Progression of CRC with SAR, Molecular Docking, and ADMET Analyses
Authors: El-Sayed Nahed , Al-Otaibi Taghreed , Alonazi Mona , Masand Vijay , Barakat Assem , Almarhoon Zainab , Ben Bacha Abir
Published: May 2021

The pathogenesis of colorectal cancer is a multifactorial process. Dysbiosis and the overexpression of COX-2 and LDHA are important effectors in the initiation and development of the disease through chromosomal instability, PGE2 biosynthesis, and induction of the Warburg effect, respectively. Herein, we report the in vitro testing of some new quinoxalinone and quinazolinone Schiff’s bases as: antibacterial, COX-2 and LDHA inhibitors, and anticolorectal agents on HCT-116 and LoVo cells. Moreover, molecular docking and SAR analyses were performed to identify the structural features contributing to the biological activities. Among the synthesized molecules, the most active cytotoxic agent, (6d) was also a COX-2 inhibitor. In silico ADMET studies predicted that (6d) would have high Caco-2 permeability, and %HIA (99.58%), with low BBB permeability, zero hepatotoxicity, and zero risk of sudden cardiac arrest, or mutagenicity. Further, (6d) is not a potential P-gp substrate, instead, it is a possible P-gpI and II inhibitor, therefore, it can prevent or reverse the multidrug resistance of the anticancer drugs. Collectively, (6d) can be considered as a promising lead suitable for further optimization to develop anti-CRC agents or glycoproteins inhibitors.
Nanostructural Arrangements and Surface Morphology on Ureasil-Polyether Films Loaded with Dexamethasone Acetate
Authors: Oshiro-Junior João Augusto , Lusuardi Angelo , Beamud Elena M. , Chiavacci Leila Aparecida , Cuberes M. Teresa
Published: May 2021

Ureasil-Poly(ethylene oxide) (u-PEO500) and ureasil-Poly(propylene oxide) (u-PPO400) films, unloaded and loaded with dexamethasone acetate (DMA), have been investigated by carrying out atomic force microscopy (AFM), ultrasonic force microscopy (UFM), contact-angle, and drug release experiments. In addition, X-ray diffraction, small angle X-ray scattering, and infrared spectroscopy have provided essential information to understand the films’ structural organization. Our results reveal that while in u-PEO500 DMA occupies sites near the ether oxygen and remains absent from the film surface, in u-PPO400 new crystalline phases are formed when DMA is loaded, which show up as ~30–100 nm in diameter rounded clusters aligned along a well-defined direction, presumably related to the one defined by the characteristic polymer ropes distinguished on the surface of the unloaded u-PPO film; occasionally, larger needle-shaped DMA crystals are also observed. UFM reveals that in the unloaded u-PPO matrix the polymer ropes are made up of strands, which in turn consist of aligned ~180 nm in diameter stiffer rounded clusters possibly formed by siloxane-node aggregates; the new crystalline phases may grow in-between the strands when the drug is loaded. The results illustrate the potential of AFM-based procedures, in combination with additional physico-chemical techniques, to picture the nanostructural arrangements in polymer matrices intended for drug delivery.
Characterization and Modeling of Nano Wear for Molybdenum-Based Lubrication Layer Systems
Authors: Behrens Bernd-Arno , Poll Gerhard , Möhwald Kai , Schöler Simon , Pape Florian , Konopka Dennis , Brunotte Kai , Wester Hendrik , Richter Sebastian , Heimes Norman
Published: May 2021

As a result of global economic and environmental change, the demand for innovative, environmentally-friendly technologies is increasing. Employing solid lubricants in rolling contacts can reduce the use of environmentally harmful greases and oils. The aim of the current research was the development of a solid lubricant system with regenerative properties. The layer system consisted of a molybdenum (Mo) reservoir and a top layer of molybdenum trioxide (MoO3). After surface wear, Mo is supposed to react with atmospheric oxygen and form a new oxide. The determination of the wear volume of thin layers cannot be measured microscopically, which is why the wear behavior is initially determined on the nano level. In this work, single Mo and MoO3 coatings prepared by physical vapor deposition (PVD) are characterized by nano testing. The main objective was to determine the wear volume of the single coatings using a newly developed method considering the initial topology. For this purpose, nano-wear tests with different wear paths and normal forces were carried out and measured by in situ scanning probe microscopy (SPM). Based on the characteristic values determined, the coefficient of wear was determined for wear modeling according to Sarkar. The validation of the wear model developed was carried out by further wear tests on the respective mono layers.
Thin Films of Metal-Organic Framework Interfaces Obtained by Laser Evaporation
Authors: Rose Olivia L. , Bonciu Anca , Marascu Valentina , Matei Andreea , Liu Qian , Rusen Laurentiu , Dinca Valentina , Dinu Cerasela Zoica
Published: May 2021

Properties such as large surface area, high pore volume, high chemical and thermal stability, and structural flexibility render zeolitic imidazolate frameworks (ZIFs) well-suited materials for gas separation, chemical sensors, and optical and electrical devices. For such applications, film processing is a prerequisite. Herein, matrix-assisted pulsed laser evaporation (MAPLE) was successfully used as a single-step deposition process to fabricate ZIF-8 films. By correlating laser fluency and controlling the specific transfer of lab-synthesized ZIF-8, films with user-controlled physical and chemical properties were obtained. Films’ characteristics were evaluated by scanning electron microscopy (SEM), energy-dispersive X-ray (EDX) spectroscopy, X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and X-ray photoelectron spectroscopy (XPS). The analysis showed that frameworks of ZIF-8 can be deposited successfully and controllably to yield polycrystalline films. The deposited films maintained the integrity of the individual ZIF-8 framework, while undergoing minor crystalline and surface chemistry changes. No significant changes in particle size were observed. Our study demonstrated control over both the MAPLE deposition conditions and the outcome, as well as the suitability of the listed deposition method to create composite architectures that could potentially be used in applications ranging from selective membranes to gas sensors.
Effect of Interfacial Structure on Mechanical Properties of Graphene Reinforced Al2O3–WC Matrix Ceramic Composite
Authors: Wang Xuchao , Zhao Jun , Cui Enzhao , Tian Xianhua , Sun Zhefei
Published: May 2021

The interfacial structures and interfacial bonding characteristics between graphene and matrix in graphene-reinforced Al2O3–WC matrix ceramic composite prepared by two-step hot pressing sintering were systematically investigated. Three interfacial structures including graphene–Al2O3, graphene–Al2OC and graphene-WC were determined in the Al2O3–WC–TiC–graphene composite by TEM. The interfacial adhesion energy and interfacial shear strength were calculated by first principles, and it has been found that the interfacial adhesion energy and interfacial shear strength of the graphene–Al2OC interface (0.287 eV/nm2, 59.32 MPa) were far lower than those of graphene–Al2O3 (0.967 eV/nm2, 395.77 MPa) and graphene–WC (0.781 eV/nm2, 229.84 MPa) interfaces. Thus, the composite with the strong and weak hybrid interfaces was successfully obtained, which was further confirmed by the microstructural analysis. This interfacial structure could induce strengthening mechanisms such as load transfer, grain refinement, etc., and toughening mechanisms such as crack bridging, graphene pull-out, etc., which effectively improved mechanical properties.
Insulin Resistance Is Inversely Associated with the Status of Vitamin D in Both Diabetic and Non-Diabetic Populations
Authors: Rafiq Shamaila , Jeppesen Per Bendix
Published: May 2021

Vitamin D has been implicated in the regulation of glucose metabolism and insulin resistance. We designed this study to provide evidence that insulin resistance is dependent on the concentration of vitamin D in the body. Forty observational studies of both type 2 diabetes mellitus patients and healthy subjects were included in this meta-analysis. Related articles were searched from Embase, PubMed, and Medline through January 2021. Filters for search were used to obtain more focused results. We used Comprehensive Meta-Analysis Version 3 for the construction of forest plots. RevMan software version 5.3 was used to build the risk of bias tables and summary plots. The observational studies included in this systematic review and meta-analysis showed an inverse relationship of insulin resistance with the status of vitamin D both in non-diabetic (r = −0.188; 95% CI = −0.141 to −0.234; p = 0.000) and diabetic (r = −0.255; 95% CI = −0.392 to −0.107, p = 0.001) populations. From the meta-analysis we concluded that hypovitaminosis D is related to increased levels of insulin resistance in both type 2 diabetes patients and the healthy population all over the world.
Nutrition Knowledge Is Associated with Energy Availability and Carbohydrate Intake in Young Female Cross-Country Skiers
Authors: Kettunen Oona , Heikkilä Maria , Linnamo Vesa , Ihalainen Johanna K.
Published: May 2021

The aim of this study was to provide information on energy availability (EA), macronutrient intake, nutritional periodization practices, and nutrition knowledge in young female cross-country skiers. A total of 19 skiers filled in weighted food and training logs before and during a training camp. Nutrition knowledge was assessed via a validated questionnaire. EA was optimal in 11% of athletes at home (mean 33.7 ± 9.6 kcal·kgFFM−1·d−1) and in 42% at camp (mean 40.3 ± 17.3 kcal·kgFFM−1·d−1). Most athletes (74%) failed to meet recommendations for carbohydrate intake at home (mean 5.0 ± 1.2 g·kg−1·d−1) and 63% failed to do so at camp (mean 7.1 ± 1.6 g·kg−1·d−1). The lower threshold of the pre-exercise carbohydrate recommendations was met by 58% and 89% of athletes while percentages were 26% and 89% within 1 h after exercise, at home and at camp, respectively. None of the athletes met the recommendations within 4 h after exercise. Nutrition knowledge was associated with EA at home (r = 0.52, p = 0.023), and with daily carbohydrate intake at home (r = 0.62, p = 0.005) and at camp (r = 0.52, p = 0.023). Carbohydrate intake within 1 and 4 h post-exercise at home was associated with better nutrition knowledge (r = 0.65, p = 0.003; r = 0.53, p = 0.019, respectively). In conclusion, young female cross-county skiers had difficulties meeting recommendations for optimal EA and carbohydrate intake. Better nutrition knowledge may help young athletes to meet these recommendations.
Nutrition Knowledge of Collegiate Athletes in the United States and the Impact of Sports Dietitians on Related Outcomes: A Narrative Review
Authors: Riviere Aaron J. , Leach Rae , Mann Haleigh , Robinson Samuel , Burnett Donna O. , Babu Jeganathan R. , Frugé Andrew Dandridge
Published: May 2021

In the last decade, the number of full-time registered dietitians (RDs) serving intercollegiate athletes in the United States has more than quadrupled. However, many student athletes may be at increased risk of nutrition-related problems that impact physical and academic performance, which include inadequate macronutrients, inadequate micronutrients, and excessive macronutrients. This narrative review reports the current literature to date on nutrition-related knowledge in collegiate athletes and the impact of sports RDs on student athletes’ nutrition knowledge and behaviors. To date, only observational and quasi-experimental studies have been published with regard to changes in nutrition knowledge and behaviors in NCAA athletes. While these studies report benefits of the RD as a member of the interdisciplinary student athlete support team, more well-designed randomized control trials are warranted to determine benefits related to health outcomes and sport-specific performance outcomes.
NutriCatt Protocol Improves Body Composition and Clinical Outcomes in Elderly Patients Undergoing Colorectal Surgery in ERAS Program: A Retrospective Cohort Study
Authors: Rinninella Emanuele , Biondi Alberto , Cintoni Marco , Raoul Pauline , Scialanga Francesca , Persichetti Eleonora , Pulcini Gabriele , Pezzuto Roberto , Persiani Roberto , D’Ugo Domenico , Gasbarrini Antonio , Mele Maria Cristina
Published: May 2021

Background: A poor body composition, often found in elderly patients, negatively impacts perioperative outcomes. We evaluated the effect of a perioperative nutritional protocol (NutriCatt) on body composition and clinical outcomes in a cohort of elderly patients undergoing colorectal surgery in a high-volume center adopting the ERAS program. Methods: 302 out of 332 elderly (>75 years) patients from 2015 to 2020 were identified. Patients were divided according to their adherence, into “NutriCatt + ERAS” (n = 166) or “standard ERAS” patients (n = 136). Anthropometric and bioelectrical impedance analysis data were evaluated for NutriCatt + ERAS patients. Complications, length of hospital stay (LOS), and other postoperative outcomes were compared between both groups. Results: In NutriCatt + ERAS patients, significant improvements of phase angle (pre-admission vs. admission 4.61 ± 0.79 vs. 4.84 ± 0.85; p = 0.001; pre-admission vs. discharge 4.61 ± 0.79 vs. 5.85 ± 0.73; p = 0.0002) and body cell mass (pre-admission vs. admission 22.4 ± 5.6 vs. 23.2 ± 5.7; p = 0.03; pre-admission vs. discharge 22.4 ± 5.6 vs. 23.1 ± 5.8; p = 0.02) were shown. NutriCatt + ERAS patients reported reduced LOS (p = 0.03) and severe complications (p = 0.03) compared to standard ERAS patients. A regression analysis confirmed the protective effect of the NutriCatt protocol on severe complications (OR 0.10, 95% CI 0.01–0.56; p = 0.009). Conclusions: The NutriCatt protocol improves clinical outcomes in elderly patients and should be recommended in ERAS colorectal surgery.
Humpback Whale Instigates Object Play with a Lion’s Mane Jellyfish
Authors: Shea Brendan D. , Gallagher Austin J.
Published: May 2021

Cetaceans are well-known for their intelligence, charismatic nature, and curiosity. Many species, particularly odontocetes, are known to investigate and manipulate novel objects they encounter. Yet, disentangling the drivers of these behaviors and distinguishing between those that are simply playful and those which serve a specific function remains challenging due to a lack of direct observations and detailed descriptions of behaviors. This is particularly true for mysticetes such as humpback whales (Megaptera novaeangliae), as records of object use are far less common than in odontocetes. Here, we present evidence of novel object use from a first of its kind encounter between an individual humpback whale and a large lion’s mane jellyfish (Cyanea capillata) in the coastal waters off New England. We detail the interaction and discuss possible drivers for the behavior, with a focus on cetacean innovation, ectoparasite removal, and wound healing.
Clinical-Based vs. Model-Based Adaptive Dosing Strategy: Retrospective Comparison in Real-World mRCC Patients Treated with Sunitinib
Authors: Ferrer Florent , Chauvin Jonathan , DeVictor Bénédicte , Lacarelle Bruno , Deville Jean-Laurent , Ciccolini Joseph
Published: May 2021

Different target exposures with sunitinib have been proposed in metastatic renal cell carcinoma (mRCC) patients, such as trough concentrations or AUCs. However, most of the time, rather than therapeutic drug monitoring (TDM), clinical evidence is preferred to tailor dosing, i.e., by reducing the dose when treatment-related toxicities show, or increasing dosing if no signs of efficacy are observed. Here, we compared such empirical dose adjustment of sunitinib in mRCC patients, with the parallel dosing proposals of a PK/PD model with TDM support. In 31 evaluable patients treated with sunitinib, 53.8% had an empirical change in dosing after treatment started (i.e., 46.2% decrease in dosing, 7.6% increase in dosing). Clinical benefit was observed in 54.1% patients, including 8.3% with complete response. Overall, 58.1% of patients experienced treatment discontinuation eventually, either because of toxicities or progressive disease. When choosing 50–100 ng/mL trough concentrations as a target exposure (i.e., sunitinib + active metabolite N-desethyl sunitinib), 45% patients were adequately exposed. When considering 1200–2150 ng/mL.h as a target AUC (i.e., sunitinib + active metabolite N-desethyl sunitinib), only 26% patients were in the desired therapeutic window. TDM with retrospective PK/PD modeling would have suggested decreasing sunitinib dosing in a much larger number of patients as compared with empirical dose adjustment. Indeed, when using target trough concentrations, the model proposed reducing dosing for 61% patients, and up to 84% patients based upon target AUC. Conversely, the model proposed increasing dosing in 9.7% of patients when using target trough concentrations and in 6.5% patients when using target AUC. Overall, TDM with adaptive dosing would have led to tailoring sunitinib dosing in a larger number of patients (i.e., 53.8% vs. 71–91%, depending on the chosen metrics for target exposure) than a clinical-based decision. Interestingly, sunitinib dosing was empirically reduced in 41% patients who displayed early-onset severe toxicities, whereas model-based recommendations would have immediately proposed to reduce dosing in more than 80% of those patients. This observation suggests that early treatment-related toxicities could have been partly avoided using prospective PK/PD modeling with adaptive dosing. Conversely, the possible impact of model-based adapted dosing on efficacy could not be fully evaluated because no clear relationship was found between baseline exposure levels and sunitinib efficacy measured at 3 months.
Degradation of Drug Delivery Nanocarriers and Payload Release: A Review of Physical Methods for Tracing Nanocarrier Biological Fate
Authors: Perrigue Patrick M. , Murray Richard A. , Mielcarek Angelika , Henschke Agata , Moya Sergio E.
Published: May 2021

Nanoformulations offer multiple advantages over conventional drug delivery, enhancing solubility, biocompatibility, and bioavailability of drugs. Nanocarriers can be engineered with targeting ligands for reaching specific tissue or cells, thus reducing the side effects of payloads. Following systemic delivery, nanocarriers must deliver encapsulated drugs, usually through nanocarrier degradation. A premature degradation, or the loss of the nanocarrier coating, may prevent the drug’s delivery to the targeted tissue. Despite their importance, stability and degradation of nanocarriers in biological environments are largely not studied in the literature. Here we review techniques for tracing the fate of nanocarriers, focusing on nanocarrier degradation and drug release both intracellularly and in vivo. Intracellularly, we will discuss different fluorescence techniques: confocal laser scanning microscopy, fluorescence correlation spectroscopy, lifetime imaging, flow cytometry, etc. We also consider confocal Raman microscopy as a label-free technique to trace colocalization of nanocarriers and drugs. In vivo we will consider fluorescence and nuclear imaging for tracing nanocarriers. Positron emission tomography and single-photon emission computed tomography are used for a quantitative assessment of nanocarrier and payload biodistribution. Strategies for dual radiolabelling of the nanocarriers and the payload for tracing carrier degradation, as well as the efficacy of the payload delivery in vivo, are also discussed.
Challenge in the Discovery of New Drugs: Antimicrobial Peptides against WHO-List of Critical and High-Priority Bacteria
Authors: Roque-Borda Cesar Augusto , da Silva Patricia Bento , Rodrigues Mosar Corrêa , Azevedo Ricardo Bentes , Di Filippo Leonardo , Duarte Jonatas L. , Chorilli Marlus , Festozo Vicente Eduardo , Pavan Fernando Rogério
Published: May 2021

Bacterial resistance has intensified in recent years due to the uncontrolled use of conventional drugs, and new bacterial strains with multiple resistance have been reported. This problem may be solved by using antimicrobial peptides (AMPs), which fulfill their bactericidal activity without developing much bacterial resistance. The rapid interaction between AMPs and the bacterial cell membrane means that the bacteria cannot easily develop resistance mechanisms. In addition, various drugs for clinical use have lost their effect as a conventional treatment; however, the synergistic effect of AMPs with these drugs would help to reactivate and enhance antimicrobial activity. Their efficiency against multi-resistant and extensively resistant bacteria has positioned them as promising molecules to replace or improve conventional drugs. In this review, we examined the importance of antimicrobial peptides and their successful activity against critical and high-priority bacteria published in the WHO list.
Novel Extraction Method Using Excipients to Enhance Yield of Genistein and Daidzein in Trifolium pratensis L.
Authors: Kazlauskaite Jurga Andreja , Ivanauskas Liudas , Bernatoniene Jurga
Published: May 2021

Isoflavones can be found in different chemical forms, but the health beneficial effects mainly appear in their free forms—aglycones. Their yield in red clover (Trifolium pratensis L.) extracts differs due to different extraction and hydrolysis methodologies. The main aim of this study was to obtain the highest yields of daidzein and genistein from red clover blossoms through the various extraction and hydrolysis methods and to increase their quantities using additional excipients. Extracts were obtained by ultrasound-assisted, heat-reflux and maceration methods combining them with acidic, alkaline, and thermal hydrolysis. Using ultrasound-assisted extraction with optimal conditions and heat-reflux method highest yields of isoflavones were obtained in UTE510 (393.23 ± 19.66 µg/g daidzein and 171.57 ± 8.58 µg/g genistein); UTE530 (415.07 ± 20.75 µg/g daidzein and 150.57 ± 7.53 µg/g genistein) and HNE5 (432.30 ± 21.61 µg/g daidzein and 154.50 ± 7.72 µg/g genistein) samples. These conditions were used with excipients: magnesium aluminometasilicate, croscarmellose sodium, sodium carboxymethyl starch and vinylpyrrolidone-vinyl acetate copolymer. This is the first study reporting the ability of the vinylpyrrolidone-vinyl acetate copolymer to promote solubilization and availability of active compounds from a herbal extract, resulting in enhanced isoflavones yield. The results of the present study showing increased solubility and availability provided by the vinylpyrrolidone-vinyl acetate copolymer suggest that this preparation could in principle also reduce variability due to limited water solubility of isoflavones.
Polyimide-Derived Carbon-Coated Li4Ti5O12 as High-Rate Anode Materials for Lithium Ion Batteries
Authors: Hsu Shih-Chieh , Huang Tzu-Ten , Wu Yen-Ju , Lu Cheng-Zhang , Weng Huei Chu , Huang Jen-Hsien , Chang-Jian Cai-Wan , Liu Ting-Yu
Published: May 2021

Carbon-coated Li4Ti5O12 (LTO) has been prepared using polyimide (PI) as a carbon source via the thermal imidization of polyamic acid (PAA) followed by a carbonization process. In this study, the PI with different structures based on pyromellitic dianhydride (PMDA), 4,4′-oxydianiline (ODA), and p-phenylenediamine (p-PDA) moieties have been synthesized. The effect of the PI structure on the electrochemical performance of the carbon-coated LTO has been investigated. The results indicate that the molecular arrangement of PI can be improved when the rigid p-PDA units are introduced into the PI backbone. The carbons derived from the p-PDA-based PI show a more regular graphite structure with fewer defects and higher conductivity. As a result, the carbon-coated LTO exhibits a better rate performance with a discharge capacity of 137.5 mAh/g at 20 C, which is almost 1.5 times larger than that of bare LTO (94.4 mAh/g).
Thermal Effect and Mechanism Analysis of Flame-Retardant Modified Polymer Electrolyte for Lithium-Ion Battery
Authors: Wu Zhi-Hao , Huang An-Chi , Tang Yan , Yang Ya-Ping , Liu Ye-Cheng , Li Zhi-Ping , Zhou Hai-Lin , Huang Chung-Fu , Xing Zhi-Xiang , Shu Chi-Min , Jiang Jun-Cheng
Published: May 2021

In recent years, the prosperous electric vehicle industry has contributed to the rapid development of lithium-ion batteries. However, the increase in the energy density of lithium-ion batteries has also created more pressing safety concerns. The emergence of a new flame-retardant material with the additive ethoxy (pentafluoro) cyclotriphosphazene can ameliorate the performance of lithium-ion batteries while ensuring their safety. The present study proposes a new polymer composite flame-retardant electrolyte and adopts differential scanning calorimetry (DSC) and accelerating rate calorimetry to investigate its thermal effect. The study found that the heating rate is positively correlated with the onset temperature, peak temperature, and endset temperature of the endothermic peak. The flame-retardant modified polymer electrolyte for new lithium-ion batteries has better thermal stability than traditional lithium-ion battery electrolytes. Three non-isothermal methods (Kissinger; Kissinger–Akahira–Sunose; and Flynn–Wall–Ozawa) were also used to calculate the kinetic parameters based on the DSC experimental data. The apparent activation energy results of the three non-isothermal methods were averaged as 54.16 kJ/mol. The research results can provide valuable references for the selection and preparation of flame-retardant additives in lithium-ion batteries.
Chitosan/Gelatin/Silver Nanoparticles Composites Films for Biodegradable Food Packaging Applications
Authors: Ediyilyam Sreelekha , George Bini , Shankar Sarojini Sharath , Dennis Thomas Thuruthiyil , Wacławek Stanisław , Černík Miroslav , Padil Vinod V. T.
Published: May 2021

The food packaging industry explores economically viable, environmentally benign, and non-toxic packaging materials. Biopolymers, including chitosan (CH) and gelatin (GE), are considered a leading replacement for plastic packaging materials, with preferred packaging functionality and biodegradability. CH, GE, and different proportions of silver nanoparticles (AgNPs) are used to prepare novel packaging materials using a simple solution casting method. The functional and morphological characterization of the prepared films was carried out by using Fourier transform infrared spectroscopy (FTIR), UV–Visible spectroscopy, and scanning electron microscopy (SEM). The mechanical strength, solubility, water vapor transmission rate, swelling behavior, moisture retention capability, and biodegradability of composite films were evaluated. The addition of AgNPs to the polymer blend matrix improves the physicochemical and biological functioning of the matrix. Due to the cross-linking motion of AgNPs, it is found that the swelling degree, moisture retention capability, and water vapor transmission rate slightly decrease. The tensile strength of pure CH–GE films was 24.4 ± 0.03, and it increased to 25.8 ± 0.05 MPa upon the addition of 0.0075% of AgNPs. The real-time application of the films was tested by evaluating the shelf-life existence of carrot pieces covered with the composite films. The composite film containing AgNPs becomes effective in lowering bacterial contamination while comparing the plastic polyethylene films. In principle, the synthesized composite films possessed all the ideal characteristics of packaging material and were considered biodegradable and biocompatible food packaging material and an alternate option for petroleum-based plastics.
Chitosan/Zeolite Composite Aerogels for a Fast and Effective Removal of Both Anionic and Cationic Dyes from Water
Authors: Marotta Angela , Luzzi Enrica , Salzano de Luna Martina , Aprea Paolo , Ambrogi Veronica , Filippone Giovanni
Published: May 2021

Organic dyes are extensively used in many industrial sectors, and their uncontrolled disposal into wastewaters raises serious concerns for environmental and human health. Due to the large variety of such pollutants, an effective remediation strategy should be characterized by a broad-spectrum efficacy. A promising strategy is represented by the combination of different adsorbent materials with complementary functionalities to develop composite materials that are expected to remove different contaminants. In the present work, a broad-spectrum adsorbent was developed by embedding zeolite 13X powder (ZX) in a chitosan (CS) aerogel (1:1 by weight). The CS–ZX composite adsorbent removes both anionic (indigo carmine, IC) and cationic (methylene blue, MB) dyes effectively, with a maximum uptake capacity of 221 mg/g and 108 mg/g, respectively. In addition, the adsorption kinetics are rather fast, with equilibrium conditions attained in less than 2 h. The composite exhibits good mechanical properties in both dry and wet state, which enables its handling for reusability purposes. In this regard, preliminary tests show that the full restoration of the IC removal ability over three adsorption–desorption cycles is achieved using a 0.1 M NaOH aqueous solution, while a 1 M NaCl aqueous solution allows one to preserve >60% of the MB removal ability.
Latest Advances on the Synthesis of Linear ABC-Type Triblock Terpolymers and Star-Shaped Polymers by RAFT Polymerization
Authors: Skandalis Athanasios , Sentoukas Theodore , Giaouzi Despoina , Kafetzi Martha , Pispas Stergios
Published: May 2021

This review article aims to cover the most recent advances regarding the synthesis of linear ABC-type triblock terpolymers and star-shaped polymers by RAFT polymerization, as well as their self-assembly properties in aqueous solutions. RAFT polymerization has received extensive attention, as it is a versatile technique, compatible with a great variety of functional monomers and reaction conditions, while providing exceptional and precise control over the final structure, with well-defined side-groups and post-polymerization engineering potential. Linear triblock terpolymers synthesis can lead to very interesting novel ideas, since there are countless combinations of stimuli/non-stimuli and hydrophilic/hydrophobic monomers that someone can use. One of their most interesting features is their ubiquitous ability to self-assemble in different nanostructures depending on their degree of polymerization (DP), block composition, solubilization protocol, internal and external stimuli. On the other hand, star-shaped polymers exhibit a more stable nanostructure, with a distinct crosslinked core and arm blocks that can also incorporate stimuli-responsive blocks for “smart” applications.
Sonication-Assisted Method for Decellularization of Human Umbilical Artery for Small-Caliber Vascular Tissue Engineering
Authors: Lin Chih-Hsun , Hsia Kai , Su Chih-Kuan , Chen Chien-Chin , Yeh Chang-Ching , Ma Hsu , Lu Jen-Her
Published: May 2021

Decellularized vascular grafts are useful for the construction of biological small-diameter tissue-engineered vascular grafts (≤6 mm). Traditional chemical decellularization requires a long treatment time, which may damage the structure and alter the mechanical properties. Decellularization using sonication is expected to solve this problem. The aim of this study was to develop an effective decellularization method using ultrasound followed by washing. Different power values of sonication at 40 kHz were tested for 2, 4, and 8 h followed by a washing procedure. The efficacy of sonication of decellularized human umbilical artery (sDHUA) was evaluated via DNA content, histological staining, mechanical properties, and biocompatibility. The sDHUAs were further implanted into rats for up to 90 days and magnetic resonance angiography (MRA) was performed for the implanted grafts. The results demonstrated that treatment of human umbilical artery (HUA) by sonication at ultrasonic power of 204 W for 4 h followed by washing for 24 h in 2% SDS buffer could eliminate more than 90% of cells and retain similar mechanical properties of the HUA. Recellularization was assessed by scanning electron microscopy (SEM), which indicated that sDHUA provided niches for human umbilical vein endothelial cells (HUVECs) to reside, indicating in vitro cytocompatibility. Further implantation tests also indicated the fitness of the sonication-treated HUA as a scaffold for small-caliber tissue engineering vascular grafts.
Composition and Properties of Protective Coatings Made of Biologically-Derived Polyester Reactive Binder
Authors: Kugler Szymon , Wierzbicka Ewa , Ossowicz-Rupniewska Paula , Łopiński Jakub
Published: May 2021

Biologically derived polymers are a very attractive subject for investigation, due to the strict pro-ecological requirements imposed by developed countries, including zero-waste and zero-carbon policies as well as volatile organic compound (VOC) limits. Synthesis of biologically-derived polyesters from natural rosin and bio-diols, showing softening temperatures suitable for application in VOC-free paints and varnishes, was performed to create a desired, future commercial product, that meet the aforementioned requirements regarding VOC and elimination of petroleum-based raw materials. Prepared polymers were used in the formulation of coating materials whose properties: cross-linking behavior, glass transition temperature, thermal stability, storage modulus, hardness, cupping resistance, adhesion, chemical resistance, gloss, haze, color, and anti-corrosive behavior in the salt chamber were investigated and discussed. As a result, coatings with prepared bio-polyesters contained over 80 wt.% of natural resources and showed competitive/better properties than petroleum-based references. They can be applied in the prototyping of “green” powder paints for the protection of steel substrates from corrosion and aggressive solvents.
Synthesis and Characterization of a Fe3O4@PNIPAM-Chitosan Nanocomposite and Its Potential Application in Vincristine Delivery
Authors: Hernández-Téllez Cynthia , Luque-Alcaraz Ana , Plascencia-Jatomea Maribel , Higuera-Valenzuela Hiram , Burgos-Hernández Mabeth , García-Flores Nadia , Álvarez-Ramos Mario , Iriqui-Razcon Jorge , Gonzalez Reynaldo , Hernández-Abril Pedro
Published: May 2021

In this research, we conducted a systematic evaluation of the synthesis parameters of a multi-responsive core-shell nanocomposite (Fe3O4 nanoparticles coated by poly(N-isopropylacrylamide) (PNIPAM) in the presence of chitosan (CS) (Fe3O4@PNIPAM-CS). Scanning electron microscopy (SEM) was used to follow the size and morphology of the nanocomposite. The functionalization and the coating of Fe3O4 nanoparticles (Nps) were evaluated by the ζ-potential evolution and Fourier Transform infrared spectroscopy (FTIR). The nanocomposite exhibited a collapsed structure when the temperature was driven above the lower critical solution temperature (LCST), determined by dynamic light scattering (DLS). The LCST was successfully shifted from 33 to 39 °C, which opens the possibility of using it in physiological systems. A magnetometry test was performed to confirm the superparamagnetic behavior at room temperature. The obtained systems allow the possibility to control specific properties, such as particle size and morphology. Finally, we performed vincristine sulfate loading and release tests. Mathematical analysis reveals a two-stage structural-relaxation release model beyond the LCST. In contrast, a temperature of 25 °C promotes the diffusional release model. As a result, a more in-depth comprehension of the release kinetics was achieved. The synthesis and study of a magnetic core-shell nanoplatform offer a smart material as an alternative targeted release therapy due to its thermomagnetic properties.
Understanding Research Methodology: Social History and the Reformation Period in Europe
Authors: Jurgens Laura Kathryn
Published: May 2021

This article provides an overview of the social-historical methodology, highlights relevant scholarship on this approach, and offers specific examples of studies on the Reformation period in Europe that use the social-historical method. I begin by explaining how the social-historical methodology, otherwise known as new social history, originated from the historical method. While highlighting key scholarship on this approach, I outline how the social-historical method differs from the historical method. I also present two essential methodological features of social history, including using sources in new, more analytical ways. I conclude by presenting specific examples of how historians of the early modern period, such as Kirsi Stjerna and Merry Wiesner-Hanks, apply the social-historical method in their own studies. This last section focuses on works that explore women’s history, family life, work, and witchcraft, primarily during the Reformation period in Europe. My goal is to provide a resource for emerging young scholars, such as undergraduate students and newly admitted graduate students, who are interested in strengthening their own work by better understanding the social-historical research method and how it is used in the study of history and religion.
Drop Size Distribution Variability in Central Argentina during RELAMPAGO-CACTI
Authors: Casanovas Candela , Salio Paola , Galligani Victoria , Dolan Brenda , Nesbitt Stephen W.
Published: May 2021

The Remote sensing of Electrification, Lightning, And Meso-scale/micro-scale Processes with Adaptive Ground Observations (RELAMPAGO) and the Cloud, Aerosol, and Complex Terrain Interactions Experiment Proposal (CACTI) field campaigns provided an unprecedented thirteen-disdrometer dataset in Central Argentina during the Intensive (IOP, 15 November to 15 December 2018) and Extended (EOP, 15 October 2018 to 30 April 2019) Observational Periods. The drop size distribution (DSD) parameters and their variability were analyzed across the region of interest, which was divided into three subregions characterized by the differing proximity to the Sierras de Córdoba (SDC), in order to assess the impact of complex terrain on the DSD parameters. A rigorous quality control of the data was first performed. The frequency distributions of DSD-derived parameters were analyzed, including the normalized intercept parameter (logNw), the mean volume diameter (D0), the mean mass diameter (Dm), the shape parameter (μ), the liquid water content (LWC), and the rain rate (R). The region closest to the SDC presented higher values of logNw, lower D0, and higher μ, while the opposite occurred in the farthest region, i.e., the concentration of small drops decreased while the concentration of bigger drops increased with the distance to the east of the SDC. Furthermore, the region closest to the SDC showed a bimodal distribution of D0: the lower values of D0 were associated with higher values of logNw and were found more frequently during the afternoon, while the higher D0 were associated with lower logNw and occurred more frequently during the night. The data were analyzed in comparison to the statistical analysis of Dolan et al. 2018 and sorted according to the classification proposed in the cited study. The logNw-D0 and LWC-D0 two-dimensional distributions allowed further discussion around the applicability of other mid-latitude and global precipitation classification schemes (startiform/convection) in the region of interest. Finally, three precipitation case studies were analyzed with supporting polarimetric radar data in order to relate the DSD characteristics to the precipitation type and the microphysical processes involved in each case.
Dynamic Nanohybrid-Polysaccharide Hydrogels for Soft Wearable Strain Sensing
Authors: Heidarian Pejman , Yousefi Hossein , Kaynak Akif , Paulino Mariana , Gharaie Saleh , Varley Russell J. , Kouzani Abbas Z.
Published: May 2021

Electroconductive hydrogels with stimuli-free self-healing and self-recovery (SELF) properties and high mechanical strength for wearable strain sensors is an area of intensive research activity at the moment. Most electroconductive hydrogels, however, consist of static bonds for mechanical strength and dynamic bonds for SELF performance, presenting a challenge to improve both properties into one single hydrogel. An alternative strategy to successfully incorporate both properties into one system is via the use of stiff or rigid, yet dynamic nano-materials. In this work, a nano-hybrid modifier derived from nano-chitin coated with ferric ions and tannic acid (TA/Fe@ChNFs) is blended into a starch/polyvinyl alcohol/polyacrylic acid (St/PVA/PAA) hydrogel. It is hypothesized that the TA/Fe@ChNFs nanohybrid imparts both mechanical strength and stimuli-free SELF properties to the hydrogel via dynamic catecholato-metal coordination bonds. Additionally, the catechol groups of TA provide mussel-inspired adhesion properties to the hydrogel. Due to its electroconductivity, toughness, stimuli-free SELF properties, and self-adhesiveness, a prototype soft wearable strain sensor is created using this hydrogel and subsequently tested.
Evaluation of Misalignment Effect in Vehicle-to-Vehicle Visible Light Communications: Experimental Demonstration of a 75 Meters Link
Authors: Avătămăniței Sebastian-Andrei , Beguni Cătălin , Căilean Alin-Mihai , Dimian Mihai , Popa Valentin
Published: May 2021

The use of visible light communications technology in communication-based vehicle applications is gaining more and more interest as the research community is constantly overcoming challenge after challenge. In this context, this article addresses the issues associated with the use of Visible Light Communications (VLC) technology in Vehicle-to-Vehicle (V2V) communications, while focusing on two crucial issues. On the one hand, it aims to investigate the achievable communication distance in V2V applications while addressing the least favorable case, namely the one when a standard vehicle rear lighting system is used as a VLC emitter. On the other hand, this article investigates another highly unfavorable use case scenario, i.e., the case when two vehicles are located on adjacent lanes, rather than on the same lane. In order to evaluate the compatibility of the VLC technology with the usage in inter-vehicle communication, a VLC prototype is intensively evaluated in outdoor conditions. The experimental results show a record V2V VLC distance of 75 m, while providing a Bit Error Ratio (BER) of 10−7–10−6. The results also show that the VLC technology is able to provide V2V connectivity even in a situation where the vehicles are located on adjacent lanes, without a major impact on the link performances. Nevertheless, this situation generates an initial no-coverage zone, which is determined by the VLC receiver reception angle, whereas in some cases, vehicle misalignment can generate a BER increase that can go up to two orders of magnitude.