bluuebunny/crossref_metadata_2025 huggingface dataset:
Infrared Spectroscopic Analysis of the Inorganic Components from Teeth Exposed to Psychotherapeutic Drugs
Authors: Diez Camila , Rojo Maria Ángeles , Martín-Gil Jesús , Martín-Ramos Pablo , Garrosa Manuel , Córdoba-Diaz Damián
Published: December 2021

Teeth are unique and complex anatomical organs that can provide relevant data about a person's health, and play an important role in forensic medicine. Teeth are exposed to food, drinks, and the microbiota of the oral cavity; therefore, they have developed a high resistance to localized demineralization. Nevertheless, the continuous demineralization–remineralization cycle present in the oral environment can be influenced by stress, medication, mineralization agents, and other factors such as individual habits, especially diet. In this study, based on attenuated total reflectance Fourier-transform infrared spectroscopy (ATR-FTIR) spectra from tooth samples of 36 patients, several parameters were estimated: the crystallinity index (CI), the phosphate/amide I ratio, and the carbonate/phosphate ratio. In addition, in eight representative samples (six of the root of the tooth and two of the enamel area of the crown), additional characterization by X-ray powder diffraction (XRPD), scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS) was conducted. From the FTIR data, it was observed that the highest CI values were found in patients who smoked. Further, in both root and crown samples, the intensity of the absorption band corresponding to PO43- increased in patients undergoing treatment with psychotherapeutic drugs. On the other hand, the intensity of the absorption band of the amide I group decreased with medical treatment and with the patient's biological age. Moreover, it was found that the remineralization process was more active in enamel than in the root due to direct contact with saliva. Regarding the results obtained from the X-ray powder diffractograms, exposure to psychotherapeutic drugs affected the definition of the peaks corresponding to hydroxyapatite, both in the crown and root samples. Concerning SEM results, qualitative differences in the stratification process in demineralized surfaces were observed, and EDS analyses showed some differences in the Ca/P ratio between pathological samples and control ones, but without clear patterns. The above techniques, in particular ATR-FTIR, showed promise for the investigation of the effect of changes produced in the hydroxyapatite structure in teeth and, consequently, to determine possible strategies in the diagnostic protocol.
Insight into the Crystal Structures and Physical Properties of the Uranium Borides UB1.78±0.02, UB3.61±0.041 and UB11.19±0.13
Authors: Martel Laura , Charpentier Thibault , Amador Cedran Pedro , Selfslag Chris , Naji Mohamed , Griveau Jean-Christophe , Colineau Eric , Eloirdi Rachel
Published: December 2021

In this study we reported the synthesis of three polycrystalline uranium borides UB1.78±0.02, UB3.61±0.041, and UB11.19±0.13 and their analyses using chemical analysis, X-ray diffraction, SQUID magnetometry, solid-state NMR, and Fourier transformed infrared spectroscopy. We discuss the effects of stoichiometry deviations on the lattice parameters and magnetic properties. We also provide their static and MAS-NMR spectra showing the effects of the 5f-electrons on the 11B shifts. Finally, the FTIR measurements showed the presence of a local disorder.
Mortars from the Palace of Knossos in Crete, Greece: A Multi-Analytical Approach
Authors: Carvalho Fernanda , Sousa Pedro , Leal Nuno , Simão Joaquim , Kavoulaki Elissavet , Lima Maria Margarida , da Silva Teresa Pereira , Águas Hugo , Padeletti Giuseppina , Veiga João Pedro
Published: December 2021

The study of building materials constituting cultural heritage is fundamental to understand their characteristics and predict their behavior. When considering materials from archaeological sites, their characterization can provide not only relevant information for a broader understanding of the site and its importance and significance but can also increase knowledge about ancient materials and their performance. The Palace of Knossos is a very important archaeological site in the European history context, and its preservation benefits from the characterization of the constituent materials. Samples of mortars from this monument were collected under the scope of the H2020 HERACLES project, where a multi-analytical approach was chosen using established protocols for the different sample typologies. Instrumental techniques such as optical microscopy (OM), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and simultaneous thermogravimetry and differential thermal analysis (TG–DTA) were used for the chemical, mineralogical, and morphological characterization of these mortar samples. The results indicate that the majority are lime mortars, both aerial and hydraulic, but gypsum-based mortars were also identified. Differences in the chemical composition of the samples in distinct areas of the monument allowed us to reflect on the variety of materials used in the construction of the Palace of Knossos.
Removal of Fluorine from RECl3 in Solution by Adsorption, Ion Exchange and Precipitation
Authors: Zhang Dongliang , Gao Kai , Zhang Xiaowei , Wang Mitang
Published: December 2021

In this paper, methods of effective removal of fluorine from rare earth chloride solution by adsorption, ion exchange and precipitation with lanthanum carbonate or CO2 gas as fluorine-removal agent, respectively, were studied. The relevant parameters studied for fluorine-removal percentage were the effects of the type and dosage of fluorine-removal agent, the injection flow and mode of CO2, the initial concentration of rare earth solution and initial pH value, contact time, temperature and stirring. XRD, SEM and EDS were used to analyze and characterize the filter slag obtained after fluorine removal. SEM and EDS results showed that RECO3(OH) with a porous structure was formed in rare earth chloride solution when lanthanum carbonate was used as fluorine-removal agent, and it had strong selective adsorption for F−. The XRD spectra showed that F− was removed in the form of REFCO3 precipitates, which indicates that the adsorbed F− replaced the OH− group on the surface of RECO3(OH) by ion exchange. The experimental results showed that a fluorine-removal percentage of 99.60% could be obtained under the following conditions: lanthanum carbonate dosage, 8%; initial conc. of rare earths, 240 g/L; initial pH, 1; reaction temperature, 90 ∘C; reaction time, 2 h. Simultaneously, a fluorine-removal process by CO2 precipitation was explored. In general, RE2(CO3)3 precipitation is generated when CO2 is injected into a rare earth chloride solution. Interestingly, the results of XRD, SEM and EDS showed that the sedimentation slag was composed of REFCO3 and RE2O2CO3. It was inferred that RE2(CO3)3 obtained at the initial reaction stage had a certain adsorption effect on F− in the solution, and then F− replaced CO32− on the surface of RE2(CO3)3 by ion exchange. Therefore, F− was finally removed by the high crystallization of REFCO3 precipitation, and excess RE2(CO3)3 was aged to precipitate RE2O2CO3. The fluorine-removal percentage can reach 98.92% with CO2 precipitation under the following conditions: venturi jet; CO2 injection flow, 1000 L/h; reaction temperature, 70 ∘C; initial pH, 1; reaction time, 1.5 h; initial conc. of rare earths, 240–300 g/L; without stirring. The above two methods achieve deep removal of fluorine in mixed fluorine-bearing rare earth chloride solution by exchanging different ionic groups. The negative influence of fluorine on subsequent rare earth extraction separation is eliminated. This technology is of great practical significance for the further development of the rare earth metallurgy industry and the protection of the environment.
Geochemical Compositions and Detrital Minerals of Stream Sediments around the Zijinshan Copper-Gold Orefield and Their Implications
Authors: Li Yuntao , Hou Qingye , Xiao Yu
Published: December 2021

Regional geochemical anomalies in stream sediments often have close spatial relationships with metallogenic provinces or ore districts, but the relationships between them have not been examined in depth. In this study, stream sediments were collected around the Zijinshan Copper-Gold Orefield, Fujian Province, China. Element geochemistry, U–Pb geochronology and Hf isotope compositions of detrital zircons, and electron microprobe and LA-ICP-MS analyses of iron oxides were conducted. The aims of this study were to investigate the relationship between the provenance of the stream sediments and ore-bearing magmatic rocks in the Zijinshan Copper-Gold Orefield, and to explore the enrichment mechanism of the ore-forming elements in stream sediments. The results show that the ore-forming elements and their associated elements are most significantly enriched in stream sediments near the orefield. U–Pb ages and Hf isotopic compositions of detrital zircons in the sediments closest to the orefield carry information on the ore- bearing magmatic rocks in the orefield. However, as the stream sediments are relatively far from the orefield, the degree of enrichment of ore-forming elements and the detrital zircon U–Pb age signals of the ore-bearing magmatic rocks in the orefield rapidly weaken. This weakening of the geochemical signals may have been affected by many factors, such as lithological resistance to weathering, vegetation coverage, micro-topographic conditions, etc. In-situ elements analysis of iron oxides and elemental correlation analysis of stream sediments indicate iron oxides and clay minerals are the main carrier minerals for the migration of ore-forming elements.
Sodium-Vanadium Bronze Na9V14O35: An Electrode Material for Na-Ion Batteries
Authors: Kirsanova Maria A. , Akmaev Alexey S. , Gorbunov Mikhail V. , Mikhailova Daria , Abakumov Artem M.
Published: December 2021

Na9V14O35 (η-NaxV2O5) has been synthesized via solid-state reaction in an evacuated sealed silica ampoule and tested as electroactive material for Na-ion batteries. According to powder X-ray diffraction, electron diffraction and atomic resolution scanning transmission electron microscopy, Na9V14O35 adopts a monoclinic structure consisting of layers of corner- and edge-sharing VO5 tetragonal pyramids and VO4 tetrahedra with Na cations positioned between the layers, and can be considered as sodium vanadium(IV,V) oxovanadate Na9V104.1+O19(V5+O4)4. Behavior of Na9V14O35 as a positive and negative electrode in Na half-cells was investigated by galvanostatic cycling against metallic Na, synchrotron powder X-ray diffraction and electron energy loss spectroscopy. Being charged to 4.6 V vs. Na+/Na, almost 3 Na can be extracted per Na9V14O35 formula, resulting in electrochemical capacity of ~60 mAh g−1. Upon discharge below 1 V, Na9V14O35 uptakes sodium up to Na:V = 1:1 ratio that is accompanied by drastic elongation of the separation between the layers of the VO4 tetrahedra and VO5 tetragonal pyramids and volume increase of about 31%. Below 0.25 V, the ordered layered Na9V14O35 structure transforms into a rock-salt type disordered structure and ultimately into amorphous products of a conversion reaction at 0.1 V. The discharge capacity of 490 mAh g−1 delivered at first cycle due to the conversion reaction fades with the number of charge-discharge cycles.
Implementing Complementary Approaches to Shape the Mechanism of α-Synuclein Oligomerization as a Model of Amyloid Aggregation
Authors: Giampà Marco , Amundarain María J. , Herrera Maria Georgina , Tonali Nicolò , Dodero Veronica I.
Published: December 2021

The aggregation of proteins into amyloid fibers is linked to more than forty still incurable cellular and neurodegenerative diseases such as Parkinson’s disease (PD), multiple system atrophy, Alzheimer’s disease and type 2 diabetes, among others. The process of amyloid formation is a main feature of cell degeneration and disease pathogenesis. Despite being methodologically challenging, a complete understanding of the molecular mechanism of aggregation, especially in the early stages, is essential to find new biological targets for innovative therapies. Here, we reviewed selected examples on α-syn showing how complementary approaches, which employ different biophysical techniques and models, can better deal with a comprehensive study of amyloid aggregation. In addition to the monomer aggregation and conformational transition hypothesis, we reported new emerging theories regarding the self-aggregation of α-syn, such as the alpha-helix rich tetramer hypothesis, whose destabilization induce monomer aggregation; and the liquid-liquid phase separation hypothesis, which considers a phase separation of α-syn into liquid droplets as a primary event towards the evolution to aggregates. The final aim of this review is to show how multimodal methodologies provide a complete portrait of α-syn oligomerization and can be successfully extended to other protein aggregation diseases.
Functionalization of Biphenylcarbazole (CBP) with Siloxane-Hybrid Chains for Solvent-Free Liquid Materials
Authors: Shaya Janah , Correia Gabriel , Heinrich Benoît , Ribierre Jean-Charles , Polychronopoulou Kyriaki , Mager Loïc , Méry Stéphane
Published: December 2021

We report herein the synthesis of siloxane-functionalized CBP molecules (4,4′-bis(carbazole)-1,1′-biphenyl) for liquid optoelectronic applications. The room-temperature liquid state is obtained through a convenient functionalization of the molecules with heptamethyltrisiloxane chains via hydrosilylation of alkenyl spacers. The synthesis comprises screening of metal-catalyzed methodologies to introduce alkenyl linkers into carbazoles (Stille and Suzuki Miyaura cross-couplings), incorporate the alkenylcarbazoles to dihalobiphenyls (Ullmann coupling), and finally introduce the siloxane chains. The used conditions allowed the synthesis of the target compounds, despite the high reactivity of the alkenyl moieties bound to π-conjugated systems toward undesired side reactions such as polymerization, isomerization, and hydrogenation. The features of these solvent-free liquid CBP derivatives make them potentially interesting for fluidic optoelectronic applications.
Plasmonic Circular Dichroism in Chiral Gold Nanowire Dimers
Authors: Toffoli Daniele , Medves Marco , Fronzoni Giovanna , Coccia Emanuele , Stener Mauro , Sementa Luca , Fortunelli Alessandro
Published: December 2021

We report a computational study at the time-dependent density functional theory (TDDFT) level of the chiro-optical spectra of chiral gold nanowires coupled in dimers. Our goal is to explore whether it is possible to overcome destructive interference in single nanowires that damp chiral response in these systems and to achieve intense plasmonic circular dichroism (CD) through a coupling between the nanostructures. We predict a huge enhancement of circular dichroism at the plasmon resonance when two chiral nanowires are intimately coupled in an achiral relative arrangement. Such an effect is even more pronounced when two chiral nanowires are coupled in a chiral relative arrangement. Individual component maps of rotator strength, partial contributions according to the magnetic dipole component, and induced densities allow us to fully rationalize these findings, thus opening the way to the field of plasmonic CD and its rational design.
Natural Polymers-Based Materials: A Contribution to a Greener Future
Authors: Silva Ana C. Q. , Silvestre Armando J. D. , Vilela Carla , Freire Carmen S. R.
Published: December 2021

Natural polymers have emerged as promising candidates for the sustainable development of materials in areas ranging from food packaging and biomedicine to energy storage and electronics. In tandem, there is a growing interest in the design of advanced materials devised from naturally abundant and renewable feedstocks, in alignment with the principles of Green Chemistry and the 2030 Agenda for Sustainable Development. This review aims to highlight some examples of the research efforts conducted at the Research Team BioPol4fun, Innovation in BioPolymer-based Functional Materials and Bioactive Compounds, from the Portuguese Associate Laboratory CICECO–Aveiro Institute of Materials at the University of Aveiro, regarding the exploitation of natural polymers (and derivatives thereof) for the development of distinct sustainable biobased materials. In particular, focus will be given to the use of polysaccharides (cellulose, chitosan, pullulan, hyaluronic acid, fucoidan, alginate, and agar) and proteins (lysozyme and gelatin) for the assembly of composites, coatings, films, membranes, patches, nanosystems, and microneedles using environmentally friendly strategies, and to address their main domains of application.
Hydrogen Delocalization in an Asymmetric Biomolecule: The Curious Case of Alpha-Fenchol
Authors: Medel Robert , Springborn Johann R. , Crittenden Deborah L. , Suhm Martin A.
Published: December 2021

Rotational microwave jet spectroscopy studies of the monoterpenol α-fenchol have so far failed to identify its second most stable torsional conformer, despite computational predictions that it is only very slightly higher in energy than the global minimum. Vibrational FTIR and Raman jet spectroscopy investigations reveal unusually complex OH and OD stretching spectra compared to other alcohols. Via modeling of the torsional states, observed spectral splittings are explained by delocalization of the hydroxy hydrogen atom through quantum tunneling between the two non-equivalent but accidentally near-degenerate conformers separated by a low and narrow barrier. The energy differences between the torsional states are determined to be only 16(1) and 7(1) cm−1hc for the protiated and deuterated alcohol, respectively, which further shrink to 9(1) and 3(1) cm−1hc upon OH or OD stretch excitation. Comparisons are made with the more strongly asymmetric monoterpenols borneol and isopinocampheol as well as with the symmetric, rapidly tunneling propargyl alcohol. In addition, the third—in contrast localized—torsional conformer and the most stable dimer are assigned for α-fenchol, as well as the two most stable dimers for propargyl alcohol.
Insights into Structural Modifications of Valproic Acid and Their Pharmacological Profile
Authors: Mishra Manish Kumar , Kukal Samiksha , Paul Priyanka Rani , Bora Shivangi , Singh Anju , Kukreti Shrikant , Saso Luciano , Muthusamy Karthikeyan , Hasija Yasha , Kukreti Ritushree
Published: December 2021

Valproic acid (VPA) is a well-established anticonvulsant drug discovered serendipitously and marketed for the treatment of epilepsy, migraine, bipolar disorder and neuropathic pain. Apart from this, VPA has potential therapeutic applications in other central nervous system (CNS) disorders and in various cancer types. Since the discovery of its anticonvulsant activity, substantial efforts have been made to develop structural analogues and derivatives in an attempt to increase potency and decrease adverse side effects, the most significant being teratogenicity and hepatotoxicity. Most of these compounds have shown reduced toxicity with improved potency. The simple structure of VPA offers a great advantage to its modification. This review briefly discusses the pharmacology and molecular targets of VPA. The article then elaborates on the structural modifications in VPA including amide-derivatives, acid and cyclic analogues, urea derivatives and pro-drugs, and compares their pharmacological profile with that of the parent molecule. The current challenges for the clinical use of these derivatives are also discussed. The review is expected to provide necessary knowledgebase for the further development of VPA-derived compounds.
Feature-Based Molecular Networks Identification of Bioactive Metabolites from Three Plants of the Polynesian Cosmetopoeia Targeting the Dermal Papilla Cells of the Hair Cycle
Authors: Hughes Kristelle , Ho Raimana , Greff Stéphane , Herbette Gaëtan , Filaire Edith , Ranouille Edwige , Berthon Jean-Yves , Raharivelomanana Phila
Published: December 2021

The term cosmetopoeia refers to the use of plants in folks’ cosmetics. The aerial parts of Bidens pilosa L., the leaves of Calophyllum inophyllum L. and the fruits of Fagraea berteroana A.Gray ex Benth are traditionally used in French Polynesia for hair and skin care. During the hair cycle, dermal papilla cells and their interaction with epithelial cells are essential to promote hair follicle elongation. The aim of our investigations was the identification of metabolites from these three plants and chemical families responsible for their hair growth activity. A bioactivity-based molecular network was produced by mapping the correlation between features obtained from LC-MS/MS data and dermal papilla cell proliferation, using the Pearson correlation coefficient. The analyses pointed out glycosylated flavonols and phenolic acids from B. pilosa and C. inophyllum, along with C-flavonoids, iridoids and secoiridoids from F. berteroana, as potential bioactive molecules involved in the proliferation of hair follicle dermal papilla cells. Our results highlight the metabolites of the plant species potentially involved in the induction of hair follicle growth and support the traditional uses of these plants in hair care.
Influence of the Storage in Bottle on the Antioxidant Activities and Related Chemical Characteristics of Wine Spirits Aged with Chestnut Staves and Micro-Oxygenation
Authors: Oliveira-Alves Sheila , Lourenço Sílvia , Anjos Ofélia , Fernandes Tiago A. , Caldeira Ilda , Catarino Sofia , Canas Sara
Published: December 2021

Different ageing technology of wine spirits (WSs) has been investigated, but little has been published on the chemical evolution of aged WS during storage in bottle. The purpose of this study was to examine how 12 months of storage in bottle affected the evolution of antioxidant activity (DPPH, FRAP and ABTS assays), total phenolic index (TPI) and low molecular weight (LMW) compounds content of the WSs aged through alternative technology using three micro-oxygenation levels (MOX) and nitrogen control (N). Results revealed the ability of phenolic compounds from aged WSs to scavenge free radicals during storage in bottle. Among the in vitro antioxidant-activity methods, FRAP assay was the more effective to differentiate WSs according to the ageing technology. Concerning the overall influence of storage in bottle on antioxidant activity, and TPI and LMW compounds content, the higher results were obtained for the MOX modalities (O15, O30 and O60), which showed a similar evolution. In summary, this study provides innovative information, demonstrating that the differences between the aged WSs imparted throughout the ageing process (resulting from different MOX levels) were mostly retained, and only slight modifications during storage in bottle were found.
Characterization of Saponins from Various Parts of Platycodon grandiflorum Using UPLC-QToF/MS
Authors: Lee So-Jeong , Kim Heon-Woong , Lee Suji , Kwon Ryeong Ha , Na Hyemin , Kim Ju Hyung , Wee Chi-Do , Yoo Seon Mi , Lee Sang Hoon
Published: December 2021

Platycodon grandiflorum (PG) is known as a high-potential material in terms of its biological activity. The objective of this report is to provide chromatographic and mass fragment ion data of 38 simultaneously identified saponins, including novel compounds, by analyzing them through ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-QToF/MS). In so doing, we investigated their diverse conditions, including morphological parts (stems, roots, buds, and leaves), peeling (or not), and blanching of PG. The total contents of individual saponins indicated an order of roots (containing peel, 1674.60 mg/100 g, dry weight) > buds (1364.05) > roots (without peel, 1058.83) ≈ blanched roots (without peel, 945.17) ≈ stems (993.71) ≈ leaves (881.16). When considering three types of aglycone, the platycodigenin group (55.04 ~ 68.34%) accounted for the largest proportion of the total content, whereas the platycogenic acid A group accounted for 17.83 ~ 22.61%, and the polygalacic acid group represented 12.06 ~ 22.35%. As they are classified as major compounds, novel saponins might be utilized for their role in healthy food for human consumption. Additionally, during blanching, the core temperature of PG was satisfied with the optimal condition, thus activating the enzymes related to biotransformation. Furthermore, through the use of this comprehensive data, additional studies related to buds, as well as roots or the characterization of individual saponins, can be conducted in a rapid and achievable manner.
Comparison of Two Immunoassay Screening Methods and a LC-MS/MS in Detecting Traditional and Designer Benzodiazepines in Urine
Authors: Rossi Brian , Freni Francesca , Vignali Claudia , Stramesi Cristiana , Collo Giancarlo , Carelli Claudia , Moretti Matteo , Galatone Dario , Morini Luca
Published: December 2021

Sensitive and specific immunoassay screening methods for the detection of benzodiazepines in urine represent an important prerequisite for routine analysis in clinical and forensic toxicology. Moreover, emerging designer benzodiazepines force labs to keep their methodologies updated, in order to evaluate the reliability of the immunochemical techniques. This study aimed at evaluating the sensitivity and specificity of two different immunoassay methods for the detection of benzodiazepines in urine, through a comparison with the results obtained by a newly developed liquid chromatographic tandem mass spectrometric (LC-MS/MS) procedure. A cohort of authentic urine samples (N = 501) were processed, before and after a hydrolysis procedure, through two immunoassays and an LC-MS/MS method. The LC-MS/MS target procedure was optimized for monitoring 25 different molecules, among traditional and designer benzodiazepines, including some metabolites. At least one of the monitored substances was detected in 100 out of the 501 samples. A good specificity was observed for the two immunoassays (>0.99), independently of the cut-offs and the sample hydrolysis. The new kit demonstrated a fairly higher sensitivity, always higher than 0.90; in particular, a high cross-reactivity of the new immunoassay was observed for samples that tested positive for lorazepam and 7-aminoclonazepam. The two immunoassays appeared adequate to monitor not only traditional benzodiazepines but also new designer ones.
Rapid Identification of 3,6′-Disinapoyl Sucrose Metabolites in Alzheimer’s Disease Model Mice Using UHPLC–Orbitrap Mass Spectrometry
Authors: Yuan Jiaqi , Wang Han , Wang Yunting , Wang Zijian , Huo Qing , Dai Xueling , Zhang Jiayu , Sun Yaxuan
Published: December 2021

Alzheimer’s disease (AD) is a degenerative disease of the central nervous system characterized by the progressive impairment of neural activity. Studies have shown that 3,6′-disinapoyl sucrose (DISS) can alleviate the pathological symptoms of AD through the activation of the cAMP/CREB/BDNF signaling pathway. However, the exact biochemical mechanisms of action of DISS are not clear. This study explores metabolism of DISS in an AD mouse model, induced by the microinjection of a lentiviral expression plasmid of the APPswe695 gene into CA1 of the hippocampus. After gavage administration of DISS (200 mg/kg), the kidneys, livers, brains, plasma, urine, and feces were collected for UHPLC–Orbitrap mass spectrometry analysis. Twenty metabolites, including the prototype drug of DISS, were positively or tentatively identified based on accurate mass measurements, characteristic fragmentation behaviors, and retention times. Thus, the metabolic pathways of DISS in AD mice were preliminarily elucidated through the identification of metabolites, such as ester bond cleavage, demethoxylation, demethylation, and sinapic acid-related products. Furthermore, differences in the in vivo distribution of several metabolites were observed between the model and sham control groups. These findings can provide a valuable reference for the pharmacological mechanisms and biosafety of DISS.
Screening of Plant Pollen Sources, Polyphenolic Compounds, Fatty Acids and Antioxidant/Antimicrobial Activity from Bee Pollen
Authors: Gercek Yusuf Can , Celik Saffet , Bayram Sinan
Published: December 2021

In this study, the botanical origin, total flavonoid and phenolic content, antioxidant activity, phenolic profile and fatty acid composition of mixed bee pollen loads collected in Bayburt, Turkey, were determined. In addition to these assays, antibacterial activity of bee-collected pollen extract (BCPE) against a variety of food-borne pathogenic bacteria was determined in vitro. Pollen loads were classified into five botanical families based on their color: Asteraceae, Fabaceae, Campanulaceae, Cistaceae and Rosaceae. Total flavonoid, total phenolic, CUPRAC and CERAC concentrations were 173.52 mg GAE/g, 79.21 mg QE/g, 85.59 mg Trolox/g and 118.13 mg Trolox/g, respectively. Twenty-three phenolic compounds were scanned in bee pollen extract by LC-MS/MS, with rutin being the most abundant. Cis-4,7,10,13,16,19 docosahexaenoic acid was the predominant fatty acid, followed by cis-11-eicosenoic acid, palmitic acid, and alfa linolenic acid. In addition, the agar well diffusion (AWD) and micro-broth dilution methods were used to determine of the antibacterial activity of the BCPE sample. MIC values were observed to vary between 2.5–5 mg/mL for Gram-positive bacteria and 5–10 mg/mL for Gram-negative bacteria. These findings indicate that bee pollen could be a potential source of antioxidants and antimicrobials.
Oenothein B in Eucalyptus Leaf Extract Suppresses Fructose Absorption in Caco-2 Cells
Authors: Sugimoto Keiichiro , Amako Midori , Takeuchi Hiroaki , Nakagawa Kazuya , Yoshimura Morio , Amakura Yoshiaki , Fujita Tomoyuki , Takenaka Shigeo , Inui Hiroshi
Published: December 2021

Inhibition of fructose absorption may suppress adiposity and adiposity-related diseases caused by fructose ingestion. Eucalyptus leaf extract (ELE) inhibits intestinal fructose absorption (but not glucose absorption); however, its active compound has not yet been identified. Therefore, we evaluated the inhibitory activity of ELE obtained from Eucalyptus globulus using an intestinal fructose permeation assay with the human intestinal epithelial cell line Caco-2. The luminal sides of a cell monolayer model cultured on membrane filters were exposed to fructose with or without the ELE. Cellular fructose permeation was evaluated by measuring the fructose concentration in the medium on the basolateral side. ELE inhibited 65% of fructose absorption at a final concentration of 1 mg/mL. Oenothein B isolated from the ELE strongly inhibited fructose absorption; the inhibition rate was 63% at a final concentration of 5 μg/mL. Oenothein B did not affect glucose absorption. In contrast, the other major constituents (i.e., gallic acid and ellagic acid) showed little fructose-inhibitory activity. To our knowledge, this is the first report that oenothein B in ELE strongly inhibits fructose absorption in vitro. ELE containing oenothein B can prevent and ameliorate obesity and other diseases caused by dietary fructose consumption.
Synthetic Perturbations in IL6 Biological Circuit Induces Dynamical Cellular Response
Authors: Soni Bhavnita , Singh Shailza
Published: December 2021

Macrophage phenotype plays a crucial role in the pathogenesis of Leishmanial infection. Pro-inflammatory cytokines signals through the Janus kinase/signal transducer and activator of transcription (JAK/STAT) pathway that functions in parasite killing. Suppression of cytokine signaling (SOCS) is a well-known negative feedback regulator of the JAK/STAT pathway. However, change in the expression levels of SOCSs in correlation with the establishment of infection is not well understood. IL6 is a pleotropic cytokine that induces SOCS1 and SOCS3 expression through JAK-STAT signaling. Mathematical modeling of the TLR2 and IL6 signaling pathway has established the immune axis of SOCS1 and SOCS3 functioning in macrophage polarization during the early stage of Leishmania major infection. The ratio has been quantified both in silico and in vitro as 3:2 which is required to establish infection during the early stage. Furthermore, phosphorylated STAT1 and STAT3 have been established as an immunological cross talk between TLR2 and IL6 signaling pathways. Using synthetic biology approaches, peptide based immuno-regulatory circuits have been designed to target the activity of SOCS1 which can restore pro-inflammatory cytokine expression during infection. In a nutshell, we explored the potential of synthetic biology to address and rewire the immune response from Th2 to Th1 type during the early stage of leishmanial infection governed by SOCS1/SOCS3 immune axis.
Phytochemical Profile, Antimicrobial, Cytotoxic, and Antioxidant Activities of Fresh and Air-Dried Satureja nabateorum Essential Oils
Authors: Al-Maharik Nawaf , Jaradat Nidal
Published: December 2021

Satureja nabateorum (Danin and Hedge) Bräuchler is a perennial herb in the Lamiaceae family that was discovered and classified in 1998. This green herb is restricted to the mountains overlooking the Dead Sea, specifically in Jordan’s southwest, the Edom mountains, and the Tubas mountains in Palestine. Gas chromatography-mass spectrometry (GC-MS) analysis of essential oil (EO) of air-dried and fresh S. nabateorum resulted in the identification of 30 and 42 phytochemicals accounting for 99.56 and 98.64% of the EO, respectively. Thymol (46.07 ± 1.1 and 40.64 ± 1.21%) was the major compound, followed by its biosynthetic precursors γ-terpinene (21.15 ± 1.05% and 20.65 ± 1.12%), and p-cymene (15.02 ± 1.02% and 11.51 ± 0.97%), respectively. Microdilution assay was used to evaluate the antimicrobial property of EOs against Staphylococcus aureus (ATCC 25923), clinical isolate Methicillin-Resistant Staphylococcus aureus (MRSA), Enterococcus faecium (ATCC 700221) Klebsiella pneumoniae (ATCC 13883), Proteus vulgaris (ATCC 700221), Escherichia coli (ATCC 25922) and Pseudomonas aeruginosa (ATCC 27853) and Candida albicans (ATCC-90028). With a MIC of 0.135 μg/mL, the EOs has the most potent antibacterial action against K. pneumonia. Both EOs display good antifungal efficacy against C. albicans, with a MIC value of 0.75 μg/mL, which was better than that of Fluconazole’s (positive control, MIC = 1.56 μg/mL). The antioxidant capacity of EOs extracted from air-dried and fresh S. nabateorum was determined using the DPPH assay, with IC50 values of 4.78 ± 0.41 and 5.37 ± 0.40 μg/mL, respectively. The tested EOs showed significant cytotoxicity against Hela, HepG2, and COLO-205 cells, with IC50 values ranging from 82 ± 0.98 to 256 ± 1.95 μg/mL. The current work shows there is a possibility to use the S. nabateorum EOs for various applications.
A Blueprint for the Synthesis and Characterization of Thiolated Graphene
Authors: Rabchinskii Maxim K. , Sysoev Victor V. , Ryzhkov Sergei A. , Eliseyev Ilya A. , Stolyarova Dina Yu. , Antonov Grigorii A. , Struchkov Nikolai S. , Brzhezinskaya Maria , Kirilenko Demid A. , Pavlov Sergei I. , Palenov Mihail E. , Mishin Maxim V. , Kvashenkina Olga E. , Gabdullin Pavel G. , Varezhnikov Alexey S. , Solomatin Maksim A. , Brunkov Pavel N.
Published: December 2021

Graphene derivatization to either engineer its physical and chemical properties or overcome the problem of the facile synthesis of nanographenes is a subject of significant attention in the nanomaterials research community. In this paper, we propose a facile and scalable method for the synthesis of thiolated graphene via a two-step liquid-phase treatment of graphene oxide (GO). Employing the core-level methods, the introduction of up to 5.1 at.% of thiols is indicated with the simultaneous rise of the C/O ratio to 16.8. The crumpling of the graphene layer upon thiolation without its perforation is pointed out by microscopic and Raman studies. The conductance of thiolated graphene is revealed to be driven by the Mott hopping mechanism with the sheet resistance values of 2.15 kΩ/sq and dependable on the environment. The preliminary results on the chemiresistive effect of these films upon exposure to ethanol vapors in the mix with dry and humid air are shown. Finally, the work function value and valence band structure of thiolated graphene are analyzed. Taken together, the developed method and findings of the morphology and physics of the thiolated graphene guide the further application of this derivative in energy storage, sensing devices, and smart materials.
A Comparative Evaluation of Sustainable Binders for Environmentally Friendly Carbon-Based Supercapacitors
Authors: Landi Giovanni , La Notte Luca , Palma Alessandro Lorenzo , Sorrentino Andrea , Maglione Maria Grazia , Puglisi Giovanni
Published: December 2021

Environmentally friendly energy storage devices have been fabricated by using functional materials obtained from completely renewable resources. Gelatin, chitosan, casein, guar gum and carboxymethyl cellulose have been investigated as sustainable and low-cost binders within the electrode active material of water-processable symmetric carbon-based supercapacitors. Such binders are selected from natural-derived materials and industrial by-products to obtain economic and environmental benefits. The electrochemical properties of the devices based on the different binders are compared by using cyclic voltammetry, galvanostatic charge/discharge curves and impedance spectroscopy. The fabricated supercapacitors exhibit series resistance lower than a few ohms and values of the specific capacitance ranged between 30 F/g and 80 F/g. The most performant device can deliver ca. 3.6 Wh/kg of energy at a high power density of 3925 W/kg. Gelatin, casein and carboxymethyl cellulose-based devices have shown device stability up to 1000 cycles. Detailed analysis on the charge storage mechanisms (e.g., involving faradaic and non-faradaic processes) at the electrode/electrolyte interface reveals a pseudocapacitance behavior within the supercapacitors. A clear correlation between the electrochemical performances (e.g., cycle stability, capacitance retention, series resistance value, coulombic efficiency) ageing phenomena and charge storage mechanisms within the porous carbon-based electrode have been discussed.
Noncovalent Functionalization of Single-Walled Carbon Nanotubes with a Photocleavable Polythiophene Derivative
Authors: Muralidhar Jyorthana Rajappa , Kodama Koichi , Hirose Takuji , Ito Yoshihiro , Kawamoto Masuki
Published: December 2021

Single-walled carbon nanotubes (SWCNTs) have received extensive research attention owing to their extraordinary optical, electrical, and mechanical properties, which make them particularly attractive for application in optoelectronic devices. However, SWCNTs are insoluble in almost all solvents. Therefore, developing methods to solubilize SWCNTs is crucial for their use in solution-based processes. In this study, we developed a photocleavable polythiophene-derivative polymer dispersant for SWCNTs. The noncovalent surface functionalization of SWCNTs with a polymer allows their dispersal in tetrahydrofuran. The resultant solution-processed polymer/SWCNT composite film undergoes a hydrophobic-to-hydrophilic change in surface properties upon light irradiation (313 nm) because hydrophilic carboxyl groups are formed upon photocleavage of the hydrophobic solubilizing units in the polymer. Furthermore, the photocleaved composite film displays a 38-fold increase in electrical conductivity. This is due to the removal of the solubilizing unit, which is electrically insulating.
Giving Penetrable Remote-Control Ability to Thermoresponsive Fibrous Composite Actuator with Fast Response Induced by Alternative Magnetic Field
Authors: Liu Li , Song Wenjing , Jiang Shaohua , Duan Gaigai , Qin Xiaohong
Published: December 2021

An alternative magnetic field (AMF)-induced electrospun fibrous thermoresponsive composite actuator showing penetrable remote-control ability with fast response is shown here for the first time. The built-in heater of magnetothermal Fe3O4 nanoparticles in the actuator and the porous structure of the fibrous layer contribute to a fast actuation with a curvature of 0.4 mm−1 in 2 s. The higher loading amount of the Fe3O4 nanoparticles and higher magnetic field strength result in a faster actuation. Interestingly, the composite actuator showed a similar actuation even when it was covered by a piece of Polytetrafluoroethylene (PTFE) film, which shows a penetrable remote-control ability.
Manipulating Optical Scattering of Quasi-BIC in Dielectric Metasurface with Off-Center Hole
Authors: Zhou Chaobiao , Pu Tianyao , Huang Jing , Fan Menghui , Huang Lujun
Published: December 2021

Bound states in the continuum (BICs) correspond to a particular leaky mode with an infinitely large quality-factor (Q-factor) located within the continuum spectrum. To date, most of the research work reported focuses on the BIC-enhanced light matter interaction due to its extreme near-field confinement. Little attention has been paid to the scattering properties of the BIC mode. In this work, we numerically study the far-field radiation manipulation of BICs by exploring multipole interference. By simply breaking the symmetry of the silicon metasurface, an ideal BIC is converted to a quasi-BIC with a finite Q-factor, which is manifested by the Fano resonance in the transmission spectrum. We found that both the intensity and directionality of the far-field radiation pattern can not only be tuned by the asymmetric parameters but can also experience huge changes around the resonance. Even for the same structure, two quasi-BICs show a different radiation pattern evolution when the asymmetric structure parameter d increases. It can be found that far-field radiation from one BIC evolves from electric-quadrupole-dominant radiation to toroidal-dipole-dominant radiation, whereas the other one shows electric-dipole-like radiation due to the interference of the magnetic dipole and electric quadrupole with the increasing asymmetric parameters. The result may find applications in high-directionality nonlinear optical devices and semiconductor lasers by using a quasi-BIC-based metasurface.
Structural Investigation of the Synthesized Few-Layer Graphene from Coal under Microwave
Authors: Islam Faridul , Tahmasebi Arash , Moghtaderi Behdad , Yu Jianglong
Published: December 2021

This study focused on the structural investigation of few-layer graphene (FLG) synthesis from bituminous coal through a catalytic process under microwave heat treatment (MW). The produced FLG has been examined by Raman spectroscopy, XRD, TEM, and AFM. Coal was activated using the potassium hydroxide activation process. The FLG synthesis processing duration was much faster requiring only 20 min under the microwave radiation. To analyse few-layer graphene samples, we considered the three bands, i.e., D, G, and 2D, of Raman spectra. At 1300 °C, the P10% Fe sample resulted in fewer defects than the other catalyst percentages sample. The catalyst percentages affected the structural change of the FLG composite materials. In addition, the Raman mapping showed that the catalyst loaded sample was homogeneously distributed and indicated a few-layer graphene sheet. In addition, the AFM technique measured the FLG thickness around 4.5 nm. Furthermore, the HRTEM images of the P10% Fe sample contained a unique morphology with 2–7 graphitic layers of graphene thin sheets. This research reported the structural revolution with latent feasibility of FLG synthesis from bituminous coal in a wide range.
CNTs Intercalated LDH Composite Membrane for Water Purification with High Permeance
Authors: Li Qian , Song Peng , Yang Yuye , Li Yan , Wang Naixin , An Quanfu
Published: December 2021

The pursuit of improved water purification technology has motivated extensive research on novel membrane materials to be carried out. In this paper, one-dimensional carboxylated carbon nanotubes (CNTs) were intercalated into the interlayer space of layered double hydroxide (LDH) to form a composite membrane for water purification. The CNTs/LDH laminates were deposited on the surface of the hydrolyzed polyacrylonitrile (PAN) ultrafiltration membrane through a vacuum-assisted assembly strategy. Based on the characterization of the morphology and structure of the CNTs/LDH composite membrane, it was found that the intercalation of CNT created more mass transfer channels for water molecules. Moreover, the permeance of the CNTs/LDH membrane was improved by more than 50% due to the low friction and rapid flow of water molecules in the CNT tubes. Additionally, the influence of preparation conditions on the separation performance was investigated using Evans blue (EB). Optimized fabrication conditions were given (the concentration of CoAl-LDH was 0.1 g/L and the weight ratio of CNTs was 2 wt.%). Next, the separation performances of the prepared CNTs/LDH composite membrane were evaluated using both single and mixed dye solutions. The results showed that the composite membrane obtained possessed a retention of 98% with a permeance of 2600 kg/(m2·h·MPa) for EB, which was improved by 36% compared with the pristine LDH composite membrane. Moreover, the stability of the CNTs/LDH composite membrane was investigated in 100 h with no obvious permeance drop (less than 13%), which exhibited its great potential in water purification.
Effects of an External Magnetic Field on the Interband and Intraband Optical Properties of an Asymmetric Biconvex Lens-Shaped Quantum Dot
Authors: Mkrtchyan Mher A. , Hayrapetyan David B. , Kazaryan Eduard M. , Sarkisyan Hayk A. , Vinnichenko Maxim Ya. , Shalygin Vadim A. , Firsov Dmitry A. , Petrosyan Lyudvig S.
Published: December 2021

The theoretical investigation of interband and intraband transitions in an asymmetric biconvex lens-shaped quantum dot are considered in the presence of an external magnetic field. The selection rules for intraband transitions are obtained. The behaviors of linear and nonlinear absorption and photoluminescence spectra are observed for different temperatures and magnetic field strengths. The second and third harmonic generation coefficients as a function of the photon energy are examined both in the absence and presence of an external magnetic field.
Number of Days Required to Estimate Habitual Vegetable Variety: A Cross-Sectional Analysis Using Dietary Records for 7 Consecutive Days
Authors: Kurisaki Ryoko , Kushida Osamu
Published: December 2021

The aim of this cross-sectional study was to examine the number of days required to estimate habitual vegetable variety by conducting a multiday, dietary record. Sixty respondents from three groups in Japan (rural residents, general students, and nutrition students) participated in the study using a self-administered questionnaire in September 2018. To measure vegetable variety, the number of different vegetables consumed was extracted from the dietary records of seven consecutive days. Differences in the number of vegetables consumed and the capture proportion over seven consecutive days between groups were examined using repeated measures analysis of variance and one-way analysis of variance. The vegetable variety between each day was also compared using Pearson’s correlation coefficient. The vegetable variety based on dietary records for seven consecutive days confirmed the differences between groups by repeated measurements (p = 0.013). However, there was no significant difference among groups in the capture proportion per survey day based on seven consecutive days. Furthermore, there were significant correlations between the number of vegetables consumed over seven consecutive days and that consumed on two or more days (r > 0.50, p < 0.01) and especially three or more days in all groups (r > 0.70, p < 0.001). The present study suggested that a dietary survey over two or more days could provide an estimate of habitual vegetable variety.