bluuebunny/crossref_metadata_2025 huggingface dataset:
Hydrolytic Modification of SiO2 Microspheres with Na2SiO3 and the Performance of Supported Nano-TiO2 Composite Photocatalyst
Authors: Tu Yu , Ao Weihua , Wang Chunhong , Ren Tianyu , Zhang Lijuan , Zhong Jiaxin , Li Wei , Ding Hao
Published: May 2021

Modified microspheres (SiO2-M) were obtained by the hydrolytic modification of silicon dioxide (SiO2) microspheres with Na2SiO3, and then, SiO2-M was used as a carrier to prepare a composite photocatalyst (SiO2-M/TiO2) using the sol-gel method; i.e., nano-TiO2 was loaded on the surface of SiO2-M. The structure, morphology, and photocatalytic properties of SiO2-M/TiO2 were investigated. Besides, the mechanism of the effect of SiO2-M was also explored. The results show that the hydrolytic modification of Na2SiO3 coated the surface of SiO2 microspheres with an amorphous SiO2 shell layer and increased the quantity of hydroxyl groups. The photocatalytic performance of the composite photocatalyst was slightly better than that of pure nano-TiO2 and significantly better than that of the composite photocatalyst supported by unmodified SiO2. Thus, increasing the loading capacity of nano-TiO2, improving the dispersion of TiO2, and increasing the active surface sites are essential factors for improving the functional efficiency of nano-TiO2. This work provides a new concept for the design of composite photocatalysts by optimizing the performance of the carrier.
The Connection between the PQ Penny Flip Game and the Dihedral Groups
Authors: Andronikos Theodore , Sirokofskich Alla
Published: May 2021

This paper is inspired by the PQ penny flip game. It employs group-theoretic concepts to study the original game and its possible extensions. In this paper, it is shown that the PQ penny flip game can be associated, in a precise way, with the dihedral group D8 and that within D8 there exist precisely two classes of equivalent winning strategies for Q. This is achieved by proving that there are exactly two different sequences of states that can guarantee Q’s win with probability 1.0. It is demonstrated that the game can be played in every dihedral group D8n, where n≥1, without any significant change. A formal examination of what happens when Q can draw their moves from the entire U(2), leads to the conclusion that, again, there are exactly two classes of winning strategies for Q, each class containing an infinite number of equivalent strategies, but all of them sending the coin through the same sequence of states as before. Finally, when general extensions of the game, with the quantum player having U(2) at their disposal, are considered, a necessary and sufficient condition for Q to surely win against Picard is established: Q must make both the first and the last move in the game.
M-Hazy Vector Spaces over M-Hazy Field
Authors: Mehmood Faisal , Shi Fu-Gui
Published: May 2021

The generalization of binary operation in the classical algebra to fuzzy binary operation is an important development in the field of fuzzy algebra. The paper proposes a new generalization of vector spaces over field, which is called M-hazy vector spaces over M-hazy field. Some fundamental properties of M-hazy field, M-hazy vector spaces, and M-hazy subspaces are studied, and some important results are also proved. Furthermore, the linear transformation of M-hazy vector spaces is studied and their important results are also proved. Finally, it is shown that M-fuzzifying convex spaces are induced by an M-hazy subspace of M-hazy vector space.
An Unusual Case of Meckel Diverticulitis Misdiagnosed as an Infected Urachal Cyst
Authors: Stefanopol Ioana Anca , Miulescu Magdalena , Baroiu Liliana , Anghele Aurelian-Dumitrache , Danila Dumitru Marius , Tiron Zina
Published: May 2021

Introduction: Meckel’s diverticulum (MD), a remnant of the omphaloenteric duct, is among the most frequent intestinal malformations. Another embryonic vestige is the urachus, which obliterates, becoming the median umbilical ligament; the failure of this process can lead to a urachal cyst formation. We present a case of Meckel diverticulitis misdiagnosed as an infected urachal cyst. Presentation of case: A 16-year-old girl presented with hypogastric pain, fever and vomiting. She had undergone an appendectomy 6 years prior and no digestive malformation had been documented. In the last 2 years, she had 3 events of urinary tract infections with Escherichia coli, and anabdominal ultrasound discovered a 28/21 mm hypoechogenic preperitoneal round tumor, anterosuperior to the bladder. We established the diagnosis of an infected urachal cyst, confirmed later by magnetic resonance imaging. Intraoperative, we found MD with necrotic diverticulitis attached to the bladder dome. Discussions: Meckel’s diverticulum and urachal cyst (UC) are embryonic remnants. Both conditions are usually asymptomatic, being incidentally discovered during imaging or surgery performed for other abdominal pathology. Imaging diagnosis is accurate for UC, but for MD they are low sensitivity and specificity. For UC treatment, there is a tendency to follow an algorithm related to age and symptoms, but there is no general consensus on whether to perform a routine resection of incidentally discovered MD. Conclusion: Preoperatory diagnosis of MD represents a challenge. We want to emphasize the necessity of a thorough inspection of the small bowel during all abdominal surgical interventions and MD surgical excision regardless of its macroscopic appearance. These two actions seem to be the best prophylaxis measures for MD complications and consequently to avoid emergency surgery, in which case more extensive surgical procedures on an unstable patient may be needed.
Prognostic Impact of Pretreatment 2-[18F]-FDG PET/CT Parameters in Primary Gastric DLBCL
Authors: Albano Domenico , Dondi Francesco , Mazzoletti Angelica , Bellini Pietro , Giubbini Raffaele , Bertagna Francesco
Published: May 2021

Background and Objectives: Primary gastric diffuse large-B cell lymphoma (DLBCL) is an aggressive lymphoma subtype with high 18F-FDG avidity but unclear criteria for 2-[18F]-FDG PET/CT in the evaluation of treatment response and prognostication. Our aim was to investigate whether the pretreatment 2-[18F]-FDG PET/CT variables may predict treatment response (at end of first-line therapy) and prognosis in primary gastric DLBCL. Materials and Methods: we included 57 patients with a diagnosis of primary gastric DLBCL and a baseline 2-[18F]-FDG PET/CT and an end of treatment PET/CT after 6 cycles of R-CHOP chemotherapy. We analyzed PET images qualitatively and semi-quantitatively by deriving the maximum standardized uptake value body weight (SUVbw), the maximum standardized uptake value lean body mass (SUVlbm), the maximum standardized uptake value body surface area (SUVbsa), lesion to liver SUVmax ratio (L-L SUV R), lesion to blood-pool SUVmax ratio (L-BP SUV R), metabolic tumor volume and total lesion glycolysis of gastric lesion (gMTV and gTLG), and total MTV (tMTV) and TLG. Survival curves were plotted according to the Kaplan–Meier analysis. Results: at a median follow up of 80 months, the median PFS and OS were 69 and 80 months. Baseline gMTV, gTLG, tMTV, and TLG were significantly higher in patients with incomplete response (partial response and progression) compared to complete response group. tMTV and TLG were confirmed to be independent prognostic factors both for PFS (p = 0.023 and p = 0.038) and OS (p = 0.038 and p = 0.026); instead, the other metabolic parameters were not related to outcome survival. Conclusions: high tMTV and TLG were significantly correlated with shorter survival (PFS and OS) and may predict incomplete response after therapy.
SARS-CoV-2 Infection Susceptibility of Pregnant Patients at Term Regarding ABO and Rh Blood Groups: A Cohort Study
Authors: Covali Roxana , Socolov Demetra , Pavaleanu Ioana , Carauleanu Alexandru , Boiculese Vasile Lucian , Socolov Razvan
Published: May 2021

Background and Objectives: The susceptibility of pregnant patients at term to SARS-CoV-2 infection regarding the ABO and Rh blood group polymorphism was analyzed in this study. Materials and Methods: In this prospective study, 457 patients admitted for delivery at term in our hospital, between 1 April 2020 and 31 December 2020 were studied. There were 46 positive and 411 SARS-CoV-2 negative patients. Their values for RT-PCR, ABO, and Rh blood group analyses, which were determined upon admittance, were studied. Results: A slightly higher percentage of infected pregnant patients at term belonged to the A blood group compared with the percentage belonging to the other blood groups; this was also true for the healthy control group. For the Rh-negative pregnant patients at term, the odds of being infected with SARS-CoV-2 was OR = 1.22 compared with Rh-positive patients where OR = 1. In our study, the highest risk was found among BIII Rh-negative pregnant patients at term (OR = 3). None of the above differences were statistically significant. Conclusions: No significant difference was found between the percentage of ABO or Rh blood groups in SARS-CoV-2 positive patients when compared with SARS-CoV-2 negative patients (p = 0.562).
Effect of the Agglomerate Geometry on the Effective Electrical Conductivity of a Porous Electrode
Authors: Rodriguez Abimael , Pool Roger , Ortegon Jaime , Escobar Beatriz , Barbosa Romeli
Published: May 2021

The study of the microstructure of random heterogeneous materials, related to an electrochemical device, is relevant because their effective macroscopic properties, e.g., electrical or proton conductivity, are a function of their effective transport coefficients (ETC). The magnitude of ETC depends on the distribution and properties of the material phase. In this work, an algorithm is developed to generate stochastic two-phase (binary) image configurations with multiple geometries and polydispersed particle sizes. The recognizable geometry in the images is represented by the white phase dispersed and characterized by statistical descriptors (two-point and line-path correlation functions). Percolation is obtained for the geometries by identifying an infinite cluster to guarantee the connection between the edges of the microstructures. Finally, the finite volume method is used to determine the ETC. Agglomerate phase results show that the geometry with the highest local current distribution is the triangular geometry. In the matrix phase, the most significant results are obtained by circular geometry, while the lowest is obtained by the 3-sided polygon. The proposed methodology allows to establish criteria based on percolation and surface fraction to assure effective electrical conduction according to their geometric distribution; results provide an insight for the microstructure development with high projection to be used to improve the electrode of a Membrane Electrode Assembly (MEA).
Investigating the Proton and Ion Transfer Properties of Supported Ionic Liquid Membranes Prepared for Bioelectrochemical Applications Using Hydrophobic Imidazolium-Type Ionic Liquids
Authors: Koók László , Lajtai-Szabó Piroska , Bakonyi Péter , Bélafi-Bakó Katalin , Nemestóthy Nándor
Published: May 2021

Hydrophobic ionic liquids (IL) may offer a special electrolyte in the form of supported ionic liquid membranes (SILM) for microbial fuel cells (MFC) due to their advantageous mass transfer characteristics. In this work, the proton and ion transfer properties of SILMs made with IL containing imidazolium cation and [PF6]− and [NTf2]− anions were studied and compared to Nafion. It resulted that both ILs show better proton mass transfer and diffusion coefficient than Nafion. The data implied the presence of water microclusters permeating through [hmim][PF6]-SILM to assist the proton transfer. This mechanism could not be assumed in the case of [NTf2]− containing IL. Ion transport numbers of K+, Na+, and H+ showed that the IL with [PF6]− anion could be beneficial in terms of reducing ion transfer losses in MFCs. Moreover, the conductivity of [bmim][PF6]-SILM at low electrolyte concentration (such as in MFCs) was comparable to Nafion.
Corrosion Behavior of TC4 Titanium Alloys in Al–Li Alloy Melt
Authors: Wang Fuyue , Wang Xiangjie , Yan Qiang , Cui Jianzhong
Published: May 2021

The influences of Li content on the corrosion behavior of TC4 (Ti6Al4V) titanium alloy were explored when the TC4 titanium alloy was immersed in Al–Li alloy melt containing 0%, 1%, and 2% lithium at 680 °C, 700 °C, and 720 °C for 0.5 h, 1 h, and 2 h. The structure and growth law of the diffusion reaction layer at solid–liquid interface were studied, and the growth kinetic equation of the diffusion reaction layer was established. In addition, Ti content in Al–Li alloy melt was determined and its dissolution rate was calculated. The results showed that with the increase of lithium content in the melt, the thickness of the diffusion reaction layer (DRL) between TC4 titanium alloy and the melt increased significantly, and the activation energies of the diffusion reaction obtained were 141.28 kJ·mol−1 in liquid Al, 86.62 kJ·mol−1 in liquid Al–1Li alloy, and 43.42 kJ·mol−1 in liquid Al–2Li alloy, respectively. The dissolution rate of Ti in Al–Li alloy melts increased with the increase of lithium content in melts. When the holding time reached 3 h in a TC4 crucible, the content of Ti dissolved in the Al–2Li alloy melt was 0.105 wt%.
Postharvest Water Loss of Wine Grape: When, What and Why
Authors: Sanmartin Chiara , Modesti Margherita , Venturi Francesca , Brizzolara Stefano , Mencarelli Fabio , Bellincontro Andrea
Published: May 2021

In postharvest science, water loss is always considered a negative factor threatening fruit and vegetable quality, but in the wine field, this physical process is employed to provide high-quality wine, such as Amarone and Passito wines. The main reason for this is the significant metabolic changes occurring during wine grape water loss, changes that are highly dependent on the specific water loss rate and level, as well as the ambient conditions under which grapes are kept to achieve dehydration. In this review, hints on the main techniques used to induce postharvest wine grape water loss and information on the most important metabolic changes occurring in grape berries during water loss are reported. The quality of wines produced from dried/dehydrated/withered grapes is also discussed, together with an update on the application of innovative non-destructive techniques in the wine sector. A wide survey of the scientific papers published all over the world on the topic has been carried out.
X-ray Total Scattering Study of Phases Formed from Cement Phases Carbonation
Authors: Cuesta Ana , De la Torre Angeles G. , Aranda Miguel A. G.
Published: May 2021

Carbonation in cement binders has to be thoroughly understood because it affects phase assemblage, binder microstructure and durability performance of concretes. This is still not the case as the reaction products can be crystalline, nanocrystalline and amorphous. The characterisation of the last two types of components are quite challenging. Here, carbonation reactions have been studied in alite-, belite- and ye’elimite-containing pastes, in controlled conditions (3% CO2 and RH = 65%). Pair distribution function (PDF) jointly with Rietveld and thermal analyses have been applied to prove that ettringite decomposed to yield crystalline aragonite, bassanite and nano-gibbsite without any formation of amorphous calcium carbonate. The particle size of gibbsite under these conditions was found to be larger (~5 nm) than that coming from the direct hydration of ye’elimite with anhydrite (~3 nm). Moreover, the carbonation of mixtures of C-S-H gel and portlandite, from alite and belite hydration, led to the formation of the three crystalline CaCO3 polymorphs (calcite, aragonite and vaterite), amorphous silica gel and amorphous calcium carbonate. In addition to their PDF profiles, the thermal analyses traces are thoroughly analysed and discussed.
Dependence of the Ripeness Stage on the Antioxidant and Antimicrobial Properties of Walnut (Juglans regia L.) Green Husk Extracts from Industrial By-Products
Authors: Soto-Madrid Daniela , Gutiérrez-Cutiño Marlen , Pozo-Martínez Josué , Zúñiga-López María Carolina , Olea-Azar Claudio , Matiacevich Silvia
Published: May 2021

Walnut green husk (WGH) is a waste generated by the walnut (Juglans regia L.) harvest industry. It represents a natural source of polyphenols, compounds with antioxidant and antimicrobial activities, but their activity could be dependent on the ripeness stage of the raw material. In this study, the effect of the different ripeness stages—open (OH) and closed (CH) husks—on the antioxidant and antimicrobial properties of WGH extracts were analyzed, emphasizing the influence of the extracts in inhibiting Escherichia coli growth. The ripeness stage of WGH significantly affected the antioxidant activity of the extracts. This was attributed to the different polyphenol profiles related to the mechanical stress when the husk opened compared to the closed sample. The antimicrobial activity showed inhibition of E. coli growth. OH-extracts at 96 µg/mL caused the lowest specific growth rate (µmax = 0.003 h−1) and the greatest inhibition percentage (I = 93%) compared to CH-extract (µmax = 0.01 h−1; I = 69%). The obtained results showed the potential of the walnut green husk, principally open husk, as an economical source of antioxidant and antimicrobial agents with potential use in the food industry.
Multiconfiguration Pair-Density Functional Theory for Transition Metal Silicide Bond Dissociation Energies, Bond Lengths, and State Orderings
Authors: Oakley Meagan S. , Gagliardi Laura , Truhlar Donald G.
Published: May 2021

Transition metal silicides are promising materials for improved electronic devices, and this motivates achieving a better understanding of transition metal bonds to silicon. Here we model the ground and excited state bond dissociations of VSi, NbSi, and TaSi using a complete active space (CAS) wave function and a separated-pair (SP) wave function combined with two post-self-consistent field techniques: complete active space with perturbation theory at second order and multiconfiguration pair-density functional theory. The SP approximation is a multiconfiguration self-consistent field method with a selection of configurations based on generalized valence bond theory without the perfect pairing approximation. For both CAS and SP, the active-space composition corresponds to the nominal correlated-participating-orbital scheme. The ground state and low-lying excited states are explored to predict the state ordering for each molecule, and potential energy curves are calculated for the ground state to compare to experiment. The experimental bond dissociation energies of the three diatomic molecules are predicted with eight on-top pair-density functionals with a typical error of 0.2 eV for a CAS wave function and a typical error of 0.3 eV for the SP approximation. We also provide a survey of the accuracy achieved by the SP and extended separated-pair approximations for a broader set of 25 transition metal–ligand bond dissociation energies.
Microwave-Assisted Preparation of Luminescent Inorganic Materials: A Fast Route to Light Conversion and Storage Phosphors
Authors: Miranda de Carvalho José , Pedroso Cássio Cardoso Santos , Saula Matheus Salgado de Nichile , Felinto Maria Claudia França Cunha , Brito Hermi Felinto de
Published: May 2021

Luminescent inorganic materials are used in several technological applications such as light-emitting displays, white LEDs for illumination, bioimaging, and photodynamic therapy. Usually, inorganic phosphors (e.g., complex oxides, silicates) need high temperatures and, in some cases, specific atmospheres to be formed or to obtain a homogeneous composition. Low ionic diffusion and high melting points of the precursors lead to long processing times in these solid-state syntheses with a cost in energy consumption when conventional heating methods are applied. Microwave-assisted synthesis relies on selective, volumetric heating attributed to the electromagnetic radiation interaction with the matter. The microwave heating allows for rapid heating rates and small temperature gradients yielding homogeneous, well-formed materials swiftly. Luminescent inorganic materials can benefit significantly from the microwave-assisted synthesis for high homogeneity, diverse morphology, and rapid screening of different compositions. The rapid screening allows for fast material investigation, whereas the benefits of enhanced homogeneity include improvement in the optical properties such as quantum yields and storage capacity.
Optimization of an Ultrasound-Assisted Extraction Method for the Analysis of Major Anthocyanin Content in Erica australis Flowers
Authors: Carrera Ceferino , Aliaño-González María José , Rodríguez-López Jaime , Ferreiro-González Marta , Ojeda-Copete Fernando , Barbero Gerardo F. , Palma Miguel
Published: May 2021

Erica australis plants have been used in infusions and folk medicine for years for its diuretic and antiseptic properties and even for the treatment of infections. In addition, a recently published thorough study on this species has demonstrated its antioxidant, antibiotic, anti-inflammatory, anticarcinogenic and even antitumoral activities. These properties have been associated with the high content of anthocyanins in E. australis leaves and flowers. The aim of the present research is to optimize an ultrasound-assisted extraction methodology for the recovery of the anthocyanins present in E. australis flowers. For that purpose, a Box Behnken design with response surface methodology was employed, and the influence of four variables at different values was determined: namely, the composition of the extraction solvents (0–50% MeOH in water), the pH level of those solvents (3–7), the extraction temperature (10–70 °C), and the sample:solvent ratio (0.5 g:10 mL–0.5 g:20 mL). UHPLC-UV-vis has been employed to quantify the two major anthocyanins detected in the samples. The extraction optimum conditions for 0.5 g samples were: 20 mL of solvent (50% MeOH:H2O) at 5 pH, with a 15 min extraction time at 70 °C. A precision study was performed and the intra-day and inter-day relative standard deviations (RSDs) obtained were 3.31% and 3.52%, respectively. The developed methodology has been successfully applied to other Erica species to validate the suitability of the method for anthocyanin extraction.
Chemical Composition and Antibacterial and Antioxidant Activity of a Citrus Essential Oil and Its Fractions
Authors: Ambrosio Carmen M. S. , Diaz-Arenas Gloria L. , Agudelo Leidy P. A. , Stashenko Elena , Contreras-Castillo Carmen J. , da Gloria Eduardo M.
Published: May 2021

Essential oils (EOs) from Citrus are the main by-product of Citrus-processing industries. In addition to food/beverage and cosmetic applications, citrus EOs could also potentially be used as an alternative to antibiotics in food-producing animals. A commercial citrus EO—Brazilian Orange Terpenes (BOT)—was fractionated by vacuum fractional distillation to separate BOT into various fractions: F1, F2, F3, and F4. Next, the chemical composition and biological activities of BOT and its fractions were characterized. Results showed the three first fractions had a high relative amount of limonene (≥10.86), even higher than the whole BOT. Conversely, F4 presented a larger relative amount of BOT’s minor compounds (carvone, cis-carveol, trans-carveol, cis-p-Mentha-2,8-dien-1-ol, and trans-p-Mentha-2,8-dien-1-ol) and a very low relative amount of limonene (0.08–0.13). Antibacterial activity results showed F4 was the only fraction exhibiting this activity, which was selective and higher activity on a pathogenic bacterium (E. coli) than on a beneficial bacterium (Lactobacillus sp.). However, F4 activity was lower than BOT. Similarly, F4 displayed the highest antioxidant activity among fractions (equivalent to BOT). These results indicated that probably those minor compounds that detected in F4 would be more involved in conferring the biological activities for this fraction and consequently for the whole BOT, instead of the major compound, limonene, playing this role exclusively.
Astragaloside IV Suppresses Hepatic Proliferation in Regenerating Rat Liver after 70% Partial Hepatectomy via Down-Regulation of Cell Cycle Pathway and DNA Replication
Authors: Lee Gyeong-Seok , Jeong Hee-Yeon , Yang Hyeon-Gung , Seo Young-Ran , Jung Eui-Gil , Lee Yong-Seok , Nam Kung-Woo , Kim Wan-Jong
Published: May 2021

Astragaloside IV (AS-IV) is one of the major bio-active ingredients of huang qi which is the dried root of Astragalus membranaceus (a traditional Chinese medicinal plant). The pharmacological effects of AS-IV, including anti-oxidative, anti-cancer, and anti-diabetic effects have been actively studied, however, the effects of AS-IV on liver regeneration have not yet been fully described. Thus, the aim of this study was to explore the effects of AS-IV on regenerating liver after 70% partial hepatectomy (PHx) in rats. Differentially expressed mRNAs, proliferative marker and growth factors were analyzed. AS-IV (10 mg/kg) was administrated orally 2 h before surgery. We found 20 core genes showed effects of AS-IV, many of which were involved with functions related to DNA replication during cell division. AS-IV down-regulates MAPK signaling, PI3/Akt signaling, and cell cycle pathway. Hepatocyte growth factor (HGF) and cyclin D1 expression were also decreased by AS-IV administration. Transforming growth factor β1 (TGFβ1, growth regulation signal) was slightly increased. In short, AS-IV down-regulated proliferative signals and genes related to DNA replication. In conclusion, AS-IV showed anti-proliferative activity in regenerating liver tissue after 70% PHx.
Biocompatible Ir(III) Complexes as Oxygen Sensors for Phosphorescence Lifetime Imaging
Authors: Kritchenkov Ilya S. , Solomatina Anastasia I. , Kozina Daria O. , Porsev Vitaly V. , Sokolov Victor V. , Shirmanova Marina V. , Lukina Maria M. , Komarova Anastasia D. , Shcheslavskiy Vladislav I. , Belyaeva Tatiana N. , Litvinov Ilia K. , Salova Anna V. , Kornilova Elena S. , Kachkin Daniel V. , Tunik Sergey P.
Published: May 2021

Synthesis of biocompatible near infrared phosphorescent complexes and their application in bioimaging as triplet oxygen sensors in live systems are still challenging areas of organometallic chemistry. We have designed and synthetized four novel iridium [Ir(N^C)2(N^N)]+ complexes (N^C–benzothienyl-phenanthridine based cyclometalated ligand; N^N–pyridin-phenanthroimidazol diimine chelate), decorated with oligo(ethylene glycol) groups to impart these emitters’ solubility in aqueous media, biocompatibility, and to shield them from interaction with bio-environment. These substances were fully characterized using NMR spectroscopy and ESI mass-spectrometry. The complexes exhibited excitation close to the biological “window of transparency”, NIR emission at 730 nm, and quantum yields up to 12% in water. The compounds with higher degree of the chromophore shielding possess low toxicity, bleaching stability, absence of sensitivity to variations of pH, serum, and complex concentrations. The properties of these probes as oxygen sensors for biological systems have been studied by using phosphorescence lifetime imaging experiments in different cell cultures. The results showed essential lifetime response onto variations in oxygen concentration (2.0–2.3 μs under normoxia and 2.8–3.0 μs under hypoxia conditions) in complete agreement with the calibration curves obtained “in cuvette”. The data obtained indicate that these emitters can be used as semi-quantitative oxygen sensors in biological systems.
Jasmonate Compounds and Their Derivatives in the Regulation of the Neoplastic Processes
Authors: Jarocka-Karpowicz Iwona , Markowska Agnieszka
Published: May 2021

Cancer is a serious problem in modern medicine, mainly due to the insufficient effectiveness of currently available therapies. There is a particular interest in compounds of natural origin, which can be used in the prophylaxis, as well as in the treatment and support of cancer treatment. One such compound is jasmonic acid (3-oxo-2-(pent-2’-enyl)cyclopentane acetic acid; isolated active form: trans-(-)-(3R,7R)- and cis-(+)-(3R,7S)-jasmonic acid) and its derivatives, which, due to their wide range of biological activities, are also proposed as potential therapeutic agents. Therefore, a review of literature data on the biological activity of jasmonates was prepared, with particular emphasis on the mechanisms of jasmonate action in neoplastic diseases. The anti-tumor activity of jasmonate compounds is based on altered cellular ATP levels; induction of re-differentiation through the action of Mitogen Activated Protein Kinases (MAPKs); the induction of the apoptosis by reactive oxygen species. Jasmonates can be used in anti-cancer therapy in combination with other known drugs, such as cisplatin, paclitaxel or doxorubicin, showing a synergistic effect. The structure–activity relationship of novel jasmonate derivatives with anti-tumor, anti-inflammatory and anti-aging effects is also shown.
Profiling of Volatile Compounds and Associated Gene Expression in Two Anthurium Cultivars and Their F1 Hybrid Progenies
Authors: Wei Qian , Xia Qing , Wang Yue , Chen Wen , Liu Cuiling , Zeng Ruizhen , Xie Li , Yi Maosheng , Guo Herong
Published: May 2021

Anthurium is an important ornamental crop in the world market and its floral scent can enhance its ornamental value. To date, studies of the components and formation mechanism of the floral scent of Anthurium are relatively few. In this study, the scent profiles of two Anthurium varieties were measured by gas chromatograph-mass spectrometer (GC-MS). There were 32 volatile organic compounds (VOCs) identified in Anthurium ‘Mystral’, and the most abundant compound was eucalyptol (57.5%). Extremely small amounts of VOCs were detected in Anthurium ‘Alabama’. Compared with A. ‘Alabama’, most genes related to floral scent synthesis exhibited a higher expression in A.‘Mystral’, including AaDXS, AaDXR, AaMDS, AaHDS, AaTPS, AaDAHPS, AaADT2, AaPAL1, and AaPAL2. In order to produce new varieties of Anthurium with fragrance, 454 progenies of two crossbred combinations of A. ‘Mystral’ and A. ‘Alabama’ were obtained. Four F1 generation plants with different floral scent intensities were selected for further study. The major components of floral scent in the progenies were similar to that of the parental A.‘Mystral’ plant. The expression patterns of genes related to floral scent synthesis were consistent with the relative contents of different types of VOCs. This study revealed the profiles of volatile compounds and associated gene expression in two Anthurium cultivars and their F1 hybrids, which provided a basis for the floral scent inheritance of Anthurium andraeanum.
The Effects of CO2 Additional on Flame Characteristics in the CH4/N2/O2 Counterflow Diffusion Flame
Authors: Chen Ying , Wang Jingfu , Zhang Xiaolei , Li Conghao
Published: May 2021

The effects (chemical, thermal, transport, and radiative) of CO2 added to the fuel side and oxidizer side on the flame temperature and the position of the flame front in a one-dimensional laminar counterflow diffusion flame of methane/N2/O2 were studied. Overall CO2 resulted in a decrease in flame temperature whether on the fuel side or on the oxidizer side, with the negative effect being more obvious on the latter side. The prominent effects of CO2 on the flame temperature were derived from its thermal properties on the fuel side and its radiative properties on the oxidizer side. The results also highlighted the differences in the four effects of CO2 on the position of the flame front on different sides. In addition, an analysis of OH and H radicals and the heat release rate of the main reactions illustrated how CO2 affects the flame temperature.
Dispersion of Carbon Nanotubes with “Green” Detergents
Authors: Umemura Kazuo , Hamano Ryo , Komatsu Hiroaki , Ikuno Takashi , Siswoyo Eko
Published: May 2021

Solubilization of carbon nanotubes (CNTs) is a fundamental technique for the use of CNTs and their conjugates as nanodevices and nanobiodevices. In this work, we demonstrate the preparation of CNT suspensions with “green” detergents made from coconuts and bamboo as fundamental research in CNT nanotechnology. Single-walled CNTs (SWNTs) with a few carboxylic acid groups (3–5%) and pristine multi-walled CNTs (MWNTs) were mixed in each detergent solution and sonicated with a bath-type sonicator. The prepared suspensions were characterized using absorbance spectroscopy, scanning electron microscopy, and Raman spectroscopy. Among the eight combinations of CNTs and detergents (two types of CNTs and four detergents, including sodium dodecyl sulfate (SDS) as the standard), SWNTs/MWNTs were well dispersed in all combinations except the combination of the MWNTs and the bamboo detergent. The stability of the suspensions prepared with coconut detergents was better than that prepared with SDS. Because the efficiency of the bamboo detergents against the MWNTs differed significantly from that against the SWNTs, the natural detergent might be useful for separating CNTs. Our results revealed that the use of the “green” detergents had the advantage of dispersing CNTs as well as SDS.
Biosynthesis of Nature-Inspired Unnatural Cannabinoids
Authors: Lim Kevin J. H. , Lim Yan Ping , Hartono Yossa D. , Go Maybelle K. , Fan Hao , Yew Wen Shan
Published: May 2021

Natural products make up a large proportion of medicine available today. Cannabinoids from the plant Cannabis sativa is one unique class of meroterpenoids that have shown a wide range of bioactivities and recently seen significant developments in their status as therapeutic agents for various indications. Their complex chemical structures make it difficult to chemically synthesize them in efficient yields. Synthetic biology has presented a solution to this through metabolic engineering in heterologous hosts. Through genetic manipulation, rare phytocannabinoids that are produced in low yields in the plant can now be synthesized in larger quantities for therapeutic and commercial use. Additionally, an exciting avenue of exploring new chemical spaces is made available as novel derivatized compounds can be produced and investigated for their bioactivities. In this review, we summarized the biosynthetic pathways of phytocannabinoids and synthetic biology efforts in producing them in heterologous hosts. Detailed mechanistic insights are discussed in each part of the pathway in order to explore strategies for creating novel cannabinoids. Lastly, we discussed studies conducted on biological targets such as CB1, CB2 and orphan receptors along with their affinities to these cannabinoid ligands with a view to inform upstream diversification efforts.
Enhancement of the Antioxidant and Antimicrobial Activities of Porphyran through Chemical Modification with Tyrosine Derivatives
Authors: Adão Pedro , Reboleira João , Teles Marco , Santos Beatriz , Ribeiro Nádia , Teixeira Carlos M. , Guedes Mafalda , Pessoa João Costa , Bernardino Susana
Published: May 2021

The chemical modification of porphyran hydrocolloid is attempted, with the objective of enhancing its antioxidant and antimicrobial activities. Sulfated galactan porphyran is obtained from commercial samples of the red algae Porphyra dioica using Soxhlet extraction with water at 100 °C and precipitation with isopropyl alcohol. The extracted porphyran is then treated with modified L-tyrosines in aqueous medium in the presence of NaOH, at ca. 70 °C. The modified tyrosines L1 and L2 are prepared through a Mannich reaction with either thymol or 2,4-di-tert-butylphenol, respectively. While the reaction with 2,4-di-tert-butylphenol yields the expected tyrosine derivative, a mixture of products is obtained with thymol. The resulting polysaccharides are structurally characterized and the respective antioxidant and antimicrobial activities are determined. Porphyran treated with the N-(2-hydroxy-3,5-di-tert-butyl-benzyl)-L-tyrosine derivative, POR-L2, presents a noticeable superior radical scavenging and antioxidant activity compared to native porphyran, POR. Furthermore, it exhibited some antimicrobial activity against S. aureus. The surface morphology of films prepared by casting with native and modified porphyrans is studied by SEM/EDS. Both POR and POR-L2 present potential applicability in the production of films and washable coatings for food packaging with improved protecting characteristics.
Six Common Herbs with Distinctive Bioactive, Antioxidant Components. A Review of Their Separation Techniques
Authors: Oreopoulou Antigoni , Choulitoudi Evanthia , Tsimogiannis Dimitrios , Oreopoulou Vassiliki
Published: May 2021

Rosemary, oregano, pink savory, lemon balm, St. John’s wort, and saffron are common herbs wildly grown and easily cultivated in many countries. All of them are rich in antioxidant compounds that exhibit several biological and health activities. They are commercialized as spices, traditional medicines, or raw materials for the production of essential oils. The whole herbs or the residues of their current use are potential sources for the recovery of natural antioxidant extracts. Finding effective and feasible extraction and purification methods is a major challenge for the industrial production of natural antioxidant extracts. In this respect, the present paper is an extensive literature review of the solvents and extraction methods that have been tested on these herbs. Green solvents and novel extraction methods that can be easily scaled up for industrial application are critically discussed.
Women in the Singlet Fission World: Pearls in a Semi-Open Shell
Authors: Stoycheva Joanna , Romanova Julia , Tadjer Alia
Published: May 2021

Singlet fission, a multiple exciton generation process, can revolutionize existing solar cell technologies. Offering the possibility to double photocurrent, the process has become a focal point for physicists, chemists, software developers, and engineers. The following review is dedicated to the female investigators, predominantly theorists, who have contributed to the field of singlet fission. We highlight their most significant advances in the subject, from deciphering the mechanism of the process to designing coveted singlet fission materials.
Use of Half-Generation PAMAM Dendrimers (G0.5–G3.5) with Carboxylate End-Groups to Improve the DACHPtCl2 and 5-FU Efficacy as Anticancer Drugs
Authors: Camacho Cláudia , Tomás Helena , Rodrigues João
Published: May 2021

The DACHPtCl2 compound (trans-(R,R)-1,2-diaminocyclohexanedichloroplatinum(II)) is a potent anticancer drug with a broad spectrum of activity and is less toxic than oxaliplatin (trans-l-diaminocyclohexane oxalate platinum II), with which it shares the active metal fragment DACHPt. Nevertheless, due to poor water solubility, its use as a chemotherapeutic drug is limited. Here, DACHPtCl2 was conjugated, in a bidentate form, with half-generation PAMAM dendrimers (G0.5–G3.5) with carboxylate end-groups, and the resulting conjugates were evaluated against various types of cancer cell lines. In this way, we aimed at increasing the solubility and availability at the target site of DACHPt while potentially reducing the adverse side effects. DNA binding assays showed a hyperchromic effect compatible with DNA helix’s disruption upon the interaction of the metallodendrimers and/or the released active metallic fragments with DNA. Furthermore, the prepared DACHPt metallodendrimers presented cytotoxicity in a wide set of cancer cell lines used (the relative potency regarding oxaliplatin was in general high) and were not hemotoxic. Importantly, their selectivity for A2780 and CACO-2 cancer cells with respect to non-cancer cells was particularly high. Subsequently, the anticancer drug 5-FU was loaded in a selected metallodendrimer (the G2.5COO(DACHPt)16) to investigate a possible synergistic effect between the two drugs carried by the same dendrimer scaffold and tested for cytotoxicity in A2780cisR and CACO-2 cancer cell lines. This combination resulted in IC50 values much lower than the IC50 for 5-FU but higher than those found for the metallodendrimers without 5-FU. It seems, thus, that the metallic fragment-induced cytotoxicity dominates over the cytotoxicity of 5-FU in the set of considered cell lines.
Novel Thiochromanone Derivatives Containing a Sulfonyl Hydrazone Moiety: Design, Synthesis, and Bioactivity Evaluation
Authors: Yu Lu , Chi Jiyan , Xiao Lingling , Li Jie , Tang Zhangfei , Tan Shuming , Li Pei
Published: May 2021

A series of novel thiochromanone derivatives containing a sulfonyl hydrazone moiety were designed and synthesized. Their structures were determined by 1H-NMR, 13C-NMR, and HRMS. Bioassay results showed that most of the target compounds revealed moderate to good antibacterial activities against Xanthomonas oryzae pv. oryzae, Xanthomonas oryzae pv. oryzicolaby, and Xanthomonas axonopodis pv. citri. Compound 4i had the best inhibitory activity against Xanthomonas oryzae pv. oryzae, Xanthomonas oryzae pv. oryzicolaby, and Xanthomonas axonopodis pv. citri, with the EC50 values of 8.67, 12.65, and 10.62 μg/mL, which were superior to those of Bismerthiazol and Thiodiazole-copper. Meanwhile, bioassay results showed that all of the target compounds proved to have lower antifungal activities against Sclerotinia sclerotiorum, Fusarium oxysporum, Gibberella zeae, Rhizoctonia solani, Verticillium dahlia, and Botrytis cinerea than those of Carbendazim.
An Overview of the Chemical Characteristics, Bioactivity and Achievements Regarding the Therapeutic Usage of Acetogenins from Annona cherimola Mill.
Authors: Durán Alexandra G. , Gutiérrez M. Teresa , Mejías Francisco J. R. , Molinillo José M. G. , Macías Francisco A.
Published: May 2021

Annona cherimola Mill., or the custard apple, is one of the species belonging to the Annonaceae family, is widely used in traditional medicine, and has been reported to be a valuable source of bioactive compounds. A unique class of secondary metabolites derived from this family are Annonaceous acetogenins, lipophilic polyketides considered to be amongst the most potent antitumor compounds. This review provides an overview of the chemical diversity, isolation procedures, bioactivity, modes of application and synthetic derivatives of acetogenins from A. cherimola Mill.
Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy
Authors: Deshmukh Milind M. , Gadre Shridhar R.
Published: May 2021

Hydrogen bonds (HBs) play a crucial role in many physicochemical and biological processes. Theoretical methods can reliably estimate the intermolecular HB energies. However, the methods for the quantification of intramolecular HB (IHB) energy available in the literature are mostly empirical or indirect and limited only to evaluating the energy of a single HB. During the past decade, the authors have developed a direct procedure for the IHB energy estimation based on the molecular tailoring approach (MTA), a fragmentation method. This MTA-based method can yield a reliable estimate of individual IHB energy in a system containing multiple H-bonds. After explaining and illustrating the methodology of MTA, we present its use for the IHB energy estimation in molecules and clusters. We also discuss the use of this method by other researchers as a standard, state-of-the-art method for estimating IHB energy as well as those of other noncovalent interactions.
Multidisciplinary Studies of Folk Medicine “Five Thieves’ Oil” (Olejek Pięciu Złodziei) Components
Authors: Siejak Przemysław , Smułek Wojciech , Fathordobady Farahnaz , Grygier Anna , Baranowska Hanna Maria , Rudzińska Magdalena , Masewicz Łukasz , Jarzębska Małgorzata , Nowakowski Piotr T. , Makiej Aleksandra , Kazemian Pardis , Drobnik Paweł , Stachowiak Barbara , Jarzębski Maciej , Pratap-Singh Anubhav
Published: May 2021

To meet the growing interest in natural antibacterial agents, we evaluated the physicochemical and biological properties of the folk medicine known as “five thieves’ oil” (Polish name: olejek pięciu złodziei). Five thieves’ oil consists of a mixture of five oils: rosemary, lemon, clove, eucalyptus, and cinnamon. In this study, we performed gas chromatography, FTIR, and UV–vis spectroscopic analysis, as well as L-a-b color tests, contact angle determination, and surface tension determination. To verify its antibacterial activity, the metabolic activity and changes in cell membrane permeability of bacteria of the genus Pseudomonas were studied. As a result, it was found that among the constituent oils, the oils of clove and cinnamon were the least volatile and, at the same time, had the strongest antibacterial activity. However, a mix of all the oils also showed comparable activity, which was even more pronounced for the oils after 4 weeks of aging. This effect can be linked to the high content of terpene derivatives such as eugenol and cinnamaldehyde, which can cause changes in bacterial membrane permeability, affecting cell activity and survival. This study is the first to characterize the constituents of the popular folk medicine five thieves’ oil, confirming and explaining its strong antibacterial activity, thus constituting a significant contribution to contemporary health education.
Thermal CO Oxidation and Photocatalytic CO2 Reduction over Bare and M-Al2O3 (M = Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au) Cotton-Like Nanosheets
Authors: Yoon Hee Jung , Yang Ju Hyun , Park So Jeong , Sohn Youngku
Published: May 2021

Aluminum oxide (Al2O3) has abundantly been used as a catalyst, and its catalytic activity has been tailored by loading transition metals. Herein, γ-Al2O3 nanosheets were prepared by the solvothermal method, and transition metals (M = Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au) were loaded onto the nanosheets. Big data sets of thermal CO oxidation and photocatalytic CO2 reduction activities were fully examined for the transition metal-loaded Al2O3 nanosheets. Their physicochemical properties were examined by scanning electron microscopy, high-resolution transmission electron microscopy, X-ray diffraction crystallography, and X-ray photoelectron spectroscopy. It was found that Rh, Pd, Ir, and Pt-loading showed a great enhancement in CO oxidation activity while other metals negated the activity of bare Al2O3 nanosheets. Rh-Al2O3 showed the lowest CO oxidation onset temperature of 172 °C, 201 °C lower than that of bare γ-Al2O3. CO2 reduction experiments were also performed to show that CO, CH3OH, and CH4 were common products. Ag-Al2O3 nanosheets showed the highest performances with yields of 237.3 ppm for CO, 36.3 ppm for CH3OH, and 30.9 ppm for CH4, 2.2×, 1.2×, and 1.6× enhancements, respectively, compared with those for bare Al2O3. Hydrogen production was found to be maximized to 20.7 ppm during CO2 reduction for Rh-loaded Al2O3. The present unique pre-screening test results provided very useful information for the selection of transition metals on Al2O3-based energy and environmental catalysts.
Thermal, Mechanical and Electrical Properties of Carbon Fiber Fabric and Graphene Reinforced Segmented Polyurethane Composites
Authors: Shi Zhe , Zhang Cong , Chen Xin-Gang , Li Ang , Zhang Yang-Fei
Published: May 2021

Thermal conductive materials with reliable and high performances such as thermal interface materials are crucial for rapid heat transferring in thermal management. In this work, carbon fiber fabric and graphene reinforced segmented polyurethane composites (CFF-G/SPU) were proposed and prepared to obtain superior thermal, mechanical and electrical properties using the hot-pressing method. The composites exhibit excellent tensile strength and can withstand a tensile force of at least 350 N without breaking. The results show that, comparing with the SPU material, the thermal conductivity is increased by 28% for the CFF-G/SPU composite, while the in-plane electrical conductivity is increased by 8 orders of magnitude to 175 S·m−1. The application of CFF-G/SPU composite as a winding thermal interface material with electric-driven self-heating effect presents good performances of fluidity and interface wettability. The composite has great advantages in phase transition and filling the interfacial gap in the short time of few seconds under the condition of electrical field, with the interface temperature difference between two layers significantly reduced.