bluuebunny/crossref_metadata_2025 huggingface dataset:
The Hydrolytic Peptides of Soybean Protein Induce Cell Cycle Arrest and Apoptosis on Human Oral Cancer Cell Line HSC-3
Authors: Hsieh Cheng-Hong , Wang Tzu-Yuan , Tung Bo-Chen , Liu Hui-Ping , Yeh Lien-Te , Hsu Kuo-Chiang
Published: April 2022

Protein hydrolysates from various sources, including tuna cooking juice, soy protein isolate, sodium caseinate, wheat gluten and skin gelatin from porcine, tilapia, halibut and milkfish were analyzed to screen their antiproliferative activities against the human oral squamous carcinoma cell line, HSC-3. The soy protein isolate was selected for further investigations based on its hydrolysates with bromelain (SB) and thermolysin (ST), showing the greatest inhibition of cell growth. The SB and ST hydrolysates showed antiproliferative activities up to 35.45–76.39% against HSC-3 cells at 72 h, and their IC50 values were 0.74 and 0.60 mg/mL, respectively. SB and ST induced cell cycle arrest in the S phase through a pathway independent of p21 and p27 protein expression. Further, ST induced the apoptosis of HSC-3 cells by downregulating expression of Bcl-2, PARP, caspase 3 and caspase 9, but an upregulating expression of p53 and cleaved caspase 3. Unlike ST, SB may induce necrosis on HSC-3 cells. Thus, soybean hydrolysates may be a good source for providing antiproliferative peptides against HSC-3, while SB and ST may have the potential to be developed as functional foods.
Solution-Processed Yellow Organic Light-Emitting Diodes Based on Two New Ionic Ir (III) Complexes
Authors: Guo Chaoxiong , Guo Song , Lu Qiqing , Jiang Zizhan , Yang Yuzhen , Zhou Weiqiao , Zeng Qin , Liang Jun , Miao Yanqin , Liu Yuanli
Published: April 2022

Two new and efficient cationic yellow-emissive Ir (III) complexes (Ir1 and Ir2) are rationally designed by using 2-(4-chloro-3-(trifluoromethyl)phenyl)-4-methylquinoline as the main ligand, and, respectively, 4,4′-dimethyl-2,2′-bipyridyl and 4,4′-dimethoxy-2,2′-bipyridyl as the ancillary ligands. Both complexes show enhanced phosphorescence (546 nm with 572 nm as shoulder and high phosphorescent quantum efficiency in solution, which is in favor of efficient solution-processed phosphorescent organic light-emitting diodes. Compared with Ir2, the Ir1-based device displays excellent device performance, with maximum external quantum efficiency, current efficiency, and power efficiency of up to 7.92%, 26.32 cd/A and 15.31 lm/W, respectively, thus proving that the two new ionic Ir (III) complexes exhibit great potential for future solution-processed electroluminescence.
Mutual Influence of Some Flavonoids and Classical Nonionic Surfactants on Their Adsorption and Volumetric Properties at Different Temperatures
Authors: Taraba Anna , Szymczyk Katarzyna , Zdziennicka Anna , Jańczuk Bronisław
Published: April 2022

Due to the increasing practical use of mixtures of flavonoids with nonionic surfactants the presented studies were based on the measurements of surface tension and conductivity of aqueous solution of the quercetin (Q) and rutin (Ru) in the mixtures with Triton X-114 (TX114) and Tween 80 (T80) as well as the contact angle of model liquids on the PTFE surface covered by the quercetin and rutin layers. Based on the obtained results components and parameters of the quercetin and rutin surface tension were determined and the mutual influence of Q and Ru in the mixtures with TX114 and T80 on their adsorption and volumetric properties were considered. It was found, among others, that based on the surface tension isotherms of the aqueous solution of the single flavonoid and nonionic surfactant, the surface tension isotherms of the aqueous solution of their mixture, the composition of the mixed monolayer at the water-air interface as well as the CMC of flavonoid + nonionic surfactant mixture can be predicted. The standard Gibbs energy, enthalpy and entropy of the adsorption and aggregation of the studied mixtures were also found, showing the mechanism of the adsorption and aggregation processes of the flavonoid + nonionic surfactant mixture.
Estimating the Analytical Performance of Raman Spectroscopy for Quantification of Active Ingredients in Human Stratum Corneum
Authors: Kichou Hichem , Munnier Emilie , Dancik Yuri , Kemel Kamilia , Byrne Hugh J. , Tfayli Ali , Bertrand Dominique , Soucé Martin , Chourpa Igor , Bonnier Franck
Published: April 2022

Confocal Raman microscopy (CRM) has become a versatile technique that can be applied routinely to monitor skin penetration of active molecules. In the present study, CRM coupled to multivariate analysis (namely PLSR—partial least squares regression) is used for the quantitative measurement of an active ingredient (AI) applied to isolated (ex vivo) human stratum corneum (SC), using systematically varied doses of resorcinol, as model compound, and the performance is quantified according to key figures of merit defined by regulatory bodies (ICH, FDA, and EMA). A methodology is thus demonstrated to establish the limit of detection (LOD), precision, accuracy, sensitivity (SEN), and selectivity (SEL) of the technique, and the performance according to these key figures of merit is compared to that of similar established methodologies, based on studies available in literature. First, principal components analysis (PCA) was used to examine the variability within the spectral data set collected. Second, ratios calculated from the area under the curve (AUC) of characteristic resorcinol and proteins/lipids bands (1400–1500 cm−1) were used to perform linear regression analysis of the Raman spectra. Third, cross-validated PLSR analysis was applied to perform quantitative analysis in the fingerprint region. The AUC results show clearly that the intensities of Raman features in the spectra collected are linearly correlated to resorcinol concentrations in the SC (R2 = 0.999) despite a heterogeneity in the distribution of the active molecule in the samples. The Root Mean Square Error of Cross-Validation (RMSECV) (0.017 mg resorcinol/mg SC), The Root Mean Square of Prediction (RMSEP) (0.015 mg resorcinol/mg SC), and R2 (0.971) demonstrate the reliability of the linear regression constructed, enabling accurate quantification of resorcinol. Furthermore, the results have enabled the determination, for the first time, of numerical criteria to estimate analytical performances of CRM, including LOD, precision using bias corrected mean square error prediction (BCMSEP), sensitivity, and selectivity, for quantification of the performance of the analytical technique. This is one step further towards demonstrating that Raman spectroscopy complies with international guidelines and to establishing the technique as a reference and approved tool for permeation studies.
Development of 1-(4-(Substituted)piperazin-1-yl)-2-((2-((4-methoxybenzyl)thio)pyrimidin-4-yl)oxy)ethanones That Target Poly (ADP-Ribose) Polymerase in Human Breast Cancer Cells
Authors: Deveshegowda Suresha N. , Metri Prashant K. , Shivakumar Rashmi , Yang Ji-Rui , Rangappa Shobith , Swamynayaka Ananda , Shanmugam Muthu K. , Nagaraja Omantheswara , Madegowda Mahendra , Babu Shubha Priya , Chinnathambi Arunachalam , Alharbi Sulaiman Ali , Pandey Vijay , Ahn Kwang Seok , Lobie Peter E. , Basappa Basappa
Published: April 2022

A number of uracil amides cleave poly (ADP-ribose) polymerase and therefore novel thiouracil amide compounds were synthesized and screened for the loss of cell viability in a human-estrogen-receptor-positive breast cancer cell line. The synthesized compounds exhibited moderate to significant efficacy against human breast cancer cells, where the compound 5e IC50 value was found to be 18 μM. Thouracil amide compounds 5a and 5e inhibited the catalytical activity of PARP1, enhanced cleavage of PARP1, enhanced phosphorylation of H2AX, and increased CASPASE 3/7 activity. Finally, in silico analysis demonstrated that compound 5e interacted with PARP1. Hence, specific thiouracil amides may serve as new drug-seeds for the development of PARP inhibitors for use in oncology.
Enhancement of Two-Photon Absorption in Boron-Dipyrromethene (BODIPY) Derivatives
Authors: Song Guanzheng , Li Zhongguo , Han Yanbing , Jia Jidong , Zhou Wenfa , Zhang Xueru , Wang Yuxiao , Song Yinglin
Published: April 2022

The linear and nonlinear optical properties of two BODIPY derivatives, 1,7-Diphenyl-3,5-bis(9,9-dimethyl-9H-fluoren-2-yl)-boron-diuoride-azadipyrromethene (ZL-61) and 1,7-Diphenyl-3,5-bis(4-(1,2,2-triphenylvinyl)phenyl)-boron-diuoride-azadipyrromethene (ZL-22), were comprehensively investigated based on experimental and theoretical studies. It was found that both compounds show a strong two-photon absorption response in the near-infrared regime, and the two-photon-absorption cross-section values of ZL-61 and ZL-22 were determined to be 8321 GM and 1864 GM at 800 nm, respectively. The improvement of the two-photon absorption cross section in ZL-61 was attributed to the enhancement of the donor group, which was confirmed by transient absorption measurements and DFT calculation. Our results indicate that these BODIPY derivatives are a promising candidate for optical limiting and two-photon imaging applications.
Identification of Potential Anti-Neuroinflammatory Inhibitors from Antarctic Fungal Strain Aspergillus sp. SF-7402 via Regulating the NF-κB Signaling Pathway in Microglia
Authors: Cao Thao Quyen , Liu Zhiming , Dong Linsha , Lee Hwan , Ko Wonmin , Vinh Le Ba , Tuan Nguyen Quoc , Kim Youn-Chul , Sohn Jae Hak , Yim Joung Han , Lee Dong-Sung , Oh Hyuncheol
Published: April 2022

Microglia play a significant role in immune defense and tissue repair in the central nervous system (CNS). Microglial activation and the resulting neuroinflammation play a key role in the pathogenesis of neurodegenerative disorders. Recently, inflammation reduction strategies in neurodegenerative diseases have attracted increasing attention. Herein, we discovered and evaluated the anti-neuroinflammatory potential of compounds from the Antarctic fungi strain Aspergillus sp. SF-7402 in lipopolysaccharide (LPS)-stimulated BV2 cells. Four metabolites were isolated from the fungi through chemical investigations, namely, 5-methoxysterigmatocystin (1), sterigmatocystin (2), aversin (3), and 6,8-O-dimethylversicolorin A (4). Their chemical structures were elucidated by extensive spectroscopic analysis and HR-ESI-MS, as well as by comparison with those reported in literature. Anti-neuroinflammatory effects of the isolated metabolites were evaluated by measuring the production of nitric oxide (NO), tumor necrosis factor (TNF)-α, and interleukin (IL)-6 in LPS-activated microglia at non-cytotoxic concentrations. Sterigmatocystins (1 and 2) displayed significant effects on NO production and mild effects on TNF-α and IL-6 expression inhibition. The molecular mechanisms underlying this activity were investigated using Western blot analysis. Sterigmatocystin treatment inhibited NO production via downregulation of inducible nitric oxide synthase (iNOS) expression in LPS-stimulated BV2 cells. Additionally, sterigmatocystins reduced nuclear translocation of NF-κB. These results suggest that sterigmatocystins present in the fungal strain Aspergillus sp. are promising candidates for the treatment of neuroinflammatory diseases.
Chromatographic Determination of the Mycotoxin Patulin in 219 Chinese Tea Samples and Implications for Human Health
Authors: Li Hai , Liu Candi , Luo Shurong , Zhu Sijie , Tang Shan , Zeng Huimei , Qin Yu , Ma Ming , Zeng Dong , van Beek Teris A. , Wang Hui , Chen Bo
Published: April 2022

Patulin (PAT) is a mycotoxin, with several acute, chronic, and cellular level toxic effects, produced by various fungi. A limit for PAT in food of has been set by authorities to guarantee food safety. Research on PAT in tea has been very limited although tea is the second largest beverage in the world. In this paper, HPLC−DAD and GC−MS methods for analysis of PAT in different tea products, such as non-fermented (green tea), partially fermented (oolong tea, white tea, yellow tea), completely fermented (black tea), and post-fermented (dark tea and Pu-erh tea) teas were developed. The methods showed good selectivity with regard to tea pigments and 5-hydroxymethylfurfural (5-HMF) and a recovery of 90–102% for PAT at a 10–100 ppb spiking level. Limit of detection (LOD) and limit of quantification (LOQ) in tea were 1.5 ng/g and 5.0 ng/g for HPLC−UV, and 0.25 ng/g and 0.83 ng/g for GC−MS. HPLC was simpler and more robust, while GC−MS showed higher sensitivity and selectivity. GC−MS was used to validate the HPLC−UV method and prove its accuracy. The PAT content of 219 Chinese tea samples was investigated. Most tea samples contained less than 10 ng/g, ten more than 10 ng/g and two more than 50 ng/g. The results imply that tea products in China are safe with regard to their PAT content. Even an extreme daily consumption of 25 g of the tea with the highest PAT content (124 ng/g), translates to an intake of only 3 μg/person/day, which is still an order of magnitude below the maximum allowed daily intake of 30 µg for an adult.
Characterization of Peanut Protein Hydrolysate and Structural Identification of Umami-Enhancing Peptides
Authors: Zhang Lixia , Sun Xiaojing , Lu Xin , Wei Songli , Sun Qiang , Jin Lu , Song Guohui , You Jing , Li Fei
Published: April 2022

Umami peptides are naturally found in various foods and have been proven to be essential components contributing to food taste. Defatted peanut powder hydrolysate produced by a multiprotease (Flavorzyme, Alcalase, and Protamex) was found to elicit an umami taste and umami-enhancing effect. The taste profiles, hydrolysis efficiency, amino acids, molecular weight distribution, Fourier transform infrared spectroscopy (FT-IR), and separation fractions obtained by ultrafiltration were evaluated. The results showed that peanut protein was extensively hydrolyzed to give mainly (up to 96.84%) free amino acids and peptides with low molecular weights (<1000 Da). Furthermore, β-sheets were the major secondary structure. Fractions of 1–3000 Da and <1000 Da prominently contributed to the umami taste and umami enhancement. To obtain umami-enhancing peptides, these two fractions were further purified by gel filtration chromatography, followed by sensory evaluation. These peptides were identified as ADSYRLP, DPLKY, EAFRVL, EFHNR, and SDLYVR by ultra-performance liquid chromatography (UPLC), and had estimated thresholds of 0.107, 0.164, 0.134, 0.148, and 0.132 mmol/L, respectively. According to the results of this work, defatted peanut powder hydrolysate had an umami taste and umami-enhancing effect, and is a potential excellent umami peptide precursor material for the food industry.
Metabolite Identification of a Novel Anti-Leishmanial Agent OJT007 in Rat Liver Microsomes Using LC-MS/MS
Authors: Rincon Nigro Maria Eugenia , Du Ting , Gao Song , Kaur Manvir , Xie Huan , Olaleye Omonike Arike , Liang Dong
Published: April 2022

The purpose of this study was to identify potential metabolic pathways and metabolites of OJT007, a methionine aminopeptidase 1 (MetAP1) inhibitor. OJT007 is a novel drug with potent antiproliferative effects against Leishmania Major. We conducted in vitro Phase I oxidation and Phase II glucuronidation assays on OJT007 using rat liver microsomes. Four unknown metabolites were initially identified using a UPLC-UV system from microsomal incubated samples. LC-MS/MS analysis was then used to identify the structural characteristics of these metabolites via precursor ion scan, neutral loss scan, and product ion scan. A glucuronide metabolite was further confirmed by β-glucuronidase hydrolysis. The kinetic parameters of OJT007 glucuronidation demonstrated that OJT007 undergoes rapid metabolism. These results demonstrate the liver’s microsomal ability to mediate three mono-oxidated metabolites and one mono-glucuronide metabolite. This suggests hepatic glucuronidation metabolism of OJT007 may be the cause of its poor oral bioavailability.
Accelerated and Natural Aging of Cellulose-Based Paper: Py-GC/MS Method
Authors: Kaszonyi Alexander , Izsák Lívia , Králik Milan , Jablonsky Michal
Published: April 2022

Samples of papers artificially (2 to 60 days) and naturally (10, 45, and 56 years) aged were studied by the Py-GC/MS method to identify decomposition products. Possible reaction scenarios for cellulose degradation were developed. One of the degradation products is acetic acid, which can (auto)catalyze the cleavage of cellulose β(1→4)-glycosidic bonds of cellulose polymer chains. However, during 20 s of Py-GC/MS analysis, temperatures of up to 300 °C did not significantly increase or modify the formation of decomposition products of paper components. At 300 °C, the amount of several cellulose decomposition products increased regularly depending on the number of days of artificial aging and natural aging, demonstrated mainly by the generation of 2-furancarboxaldehyde, 5-hydroxymethylfurfural, and levoglucosan and its consecutive dehydration products. No correlation between the amount of lignin decomposition products and the time of aging was found when the pyrolysis was performed at 300 °C and 500 °C. Compounds present in the products of decomposition at 500 °C bear the imprint of the chemical composition of the sampled paper. Pyrograms taken at 300 °C using the Py-GC/MS method can give additional information on the changes in the chemical structure of paper during natural or artificial aging, mainly about the cleavage of β(1→4)-glycosidic bonds during aging.
Oligomer Sensor Nanoarchitectonics for “Turn-On” Fluorescence Detection of Cholesterol at the Nanomolar Level
Authors: Joshi Vedant , Hussain Sameer , Dua Sachin , Arora Nishtha , Mir Sajjad Husain , Rydzek Gaulthier , Senthilkumar Thangaraj
Published: April 2022

Sensitive and rapid monitoring of cholesterol levels in the human body are highly desirable as they are directly related to the diagnosis of cardiovascular diseases. By using the nanoarchitectonic approach, a novel fluorescent conjugated oligofluorene (OFP-CD) functionalized with β-cyclodextrin (β-CD) was assembled for “Turn-On” fluorescence sensing of cholesterol. The appended β-CD units in OFP-CD enabled the forming of host-guest complexes with dabsyl chloride moieties in water, resulting in fluorescence quenching of the oligofluorene through intermolecular energy transfer. In the presence of cholesterol molecules, a more favorable host-guest complex with stoichiometry 1 cholesterol: 2 β-CD units was formed, replacing dabsyl chloride in β-CD’s cavities. This process resulted in fluorescence recovery of OFP-CD, owing to disruption of energy transfer. The potential of this nanoarchitectonic system for “Turn-On” sensing of cholesterol was extensively studied by fluorescence spectroscopy. The high selectivity of the sensor for cholesterol was demonstrated using biologically relevant interfering compounds, such as carbohydrates, amino acids, metal ions, and anions. The detection limit (LOD value) was as low as 68 nM, affirming the high sensitivity of the current system.
Antioxidant, Hypoglycemic and Molecular Docking Studies of Methanolic Extract, Fractions and Isolated Compounds from Aerial Parts of Cymbopogon citratus (DC.) Stapf
Authors: Wang Hanlei , Zhang Ran , Zhang Kun , Chen Xuelin , Zhang Yumei
Published: April 2022

Traditionally, Cymbopogon citratus is used to treat a variety of ailments, including cough, indigestion, fever, and diabetes. The previous chemical and bioactive research on C. citratus mainly focused on its volatile oil. In this study, 20 non-volatile known compounds were isolated from the dried aerial part of C. citratus, and their structures were elucidated by MS, NMR spectroscopy, and comparison with the published spectroscopic data. Among them, 16 compounds were reported for the first time from this plant. The screening results for antioxidant and α-glucosidase inhibitory activities indicated that compounds caffeic acid (5), 1-O-p-coumaroyl-3-O-caffeoylglycerol (8), 1,3-O-dicaffeoylglycerol (9) and luteolin-7-O-β-D-glucopyranoside (12) had potent antioxidant capacities, with IC50 values from 7.28 to 14.81 μM, 1.70 to 2.15 mol Trolox/mol and 1.31 to 2.42 mol Trolox/mol for DPPH, ABTS, and FRAP, respectively. Meanwhile, compounds 8 and 9 also exhibited significant inhibitory activities against α-glucosidase, with IC50 values of 11.45 ± 1.82 μM and 5.46 ± 0.25 μM, respectively, which were reported for the first time for their α-glucosidase inhibitory activities. The molecular docking result provided a molecular comprehension of the interaction between compounds (8 and 9) and α-glucosidase. The significant antioxidant and α-glucosidase inhibitory activities of compounds 8 and 9 suggested that they could be developed into antidiabetic drugs because of their potential regulatory roles on oxidative stress and digestive enzyme.
Two-Channel Charge-Kondo Physics in Graphene Quantum Dots
Authors: Minarelli Emma L. , Rigo Jonas B. , Mitchell Andrew K.
Published: April 2022

Nanoelectronic quantum dot devices exploiting the charge-Kondo paradigm have been established as versatile and accurate analogue quantum simulators of fundamental quantum impurity models. In particular, hybrid metal–semiconductor dots connected to two metallic leads realize the two-channel Kondo (2CK) model, in which Kondo screening of the dot charge pseudospin is frustrated. In this article, a two-channel charge-Kondo device made instead from graphene components is considered, realizing a pseudogapped version of the 2CK model. The model is solved using Wilson’s Numerical Renormalization Group method, uncovering a rich phase diagram as a function of dot–lead coupling strength, channel asymmetry, and potential scattering. The complex physics of this system is explored through its thermodynamic properties, scattering T-matrix, and experimentally measurable conductance. The strong coupling pseudogap Kondo phase is found to persist in the channel-asymmetric two-channel context, while in the channel-symmetric case, frustration results in a novel quantum phase transition. Remarkably, despite the vanishing density of states in the graphene leads at low energies, a finite linear conductance is found at zero temperature at the frustrated critical point, which is of a non-Fermi liquid type. Our results suggest that the graphene charge-Kondo platform offers a unique possibility to access multichannel pseudogap Kondo physics.
Phase Transitions of Cu and Fe at Multiscales in an Additively Manufactured Cu–Fe Alloy under High-Pressure
Authors: Chatterjee Arya , Popov Dmitry , Velisavljevic Nenad , Misra Amit
Published: April 2022

A state of the art, custom-built direct-metal deposition (DMD)-based additive manufacturing (AM) system at the University of Michigan was used to manufacture 50Cu–50Fe alloy with tailored properties for use in high strain/deformation environments. Subsequently, we performed preliminary high-pressure compression experiments to investigate the structural stability and deformation of this material. Our work shows that the alpha (BCC) phase of Fe is stable up to ~16 GPa before reversibly transforming to HCP, which is at least a few GPa higher than pure bulk Fe material. Furthermore, we observed evidence of a transition of Cu nano-precipitates in Fe from the well-known FCC structure to a metastable BCC phase, which has only been predicted via density functional calculations. Finally, the metastable FCC Fe nano-precipitates within the Cu grains show a modulated nano-twinned structure induced by high-pressure deformation. The results from this work demonstrate the opportunity in AM application for tailored functional materials and extreme stress/deformation applications.
Progress and Recent Trends in the Application of Nanoparticles as Low Carbon Fuel Additives—A State of the Art Review
Authors: Ampah Jeffrey Dankwa , Yusuf Abdulfatah Abdu , Agyekum Ephraim Bonah , Afrane Sandylove , Jin Chao , Liu Haifeng , Fattah Islam Md Rizwanul , Show Pau Loke , Shouran Mokhtar , Habil Monier , Kamel Salah
Published: April 2022

The first part of the current review highlights the evolutionary nuances and research hotspots in the field of nanoparticles in low carbon fuels. Our findings reveal that contribution to the field is largely driven by researchers from Asia, mainly India. Of the three biofuels under review, biodiesel seems to be well studied and developed, whereas studies regarding vegetable oils and alcohols remain relatively scarce. The second part also reviews the application of nanoparticles in biodiesel/vegetable oil/alcohol-based fuels holistically, emphasizing fuel properties and engine characteristics. The current review reveals that the overall characteristics of the low carbon fuel–diesel blends improve under the influence of nanoparticles during combustion in diesel engines. The most important aspect of nanoparticles is that they act as an oxygen buffer that provides additional oxygen molecules in the combustion chamber, promoting complete combustion and lowering unburnt emissions. Moreover, the nanoparticles used for these purposes exhibit excellent catalytic behaviour as a result of their high surface area-to-volume ratio—this leads to a reduction in exhaust pollutants and ensures an efficient and complete combustion. Beyond energy-based indicators, the exergy, economic, environmental, and sustainability aspects of the blends in diesel engines are discussed. It is observed that the performance of the diesel engine fuelled with low carbon fuels according to the second law of efficiency improves under the influence of the nano-additives. Our final part shows that despite the benefits of nanoparticles, humans and animals are under serious threats from the highly toxic nature of nanoparticles.
Understanding the CH4 Conversion over Metal Dimers from First Principles
Authors: Meng Haihong , Han Bing , Li Fengyu , Zhao Jingxiang , Chen Zhongfang
Published: April 2022

Inspired by the advantages of bi-atom catalysts and recent exciting progresses of nanozymes, by means of density functional theory (DFT) computations, we explored the potential of metal dimers embedded in phthalocyanine monolayers (M2-Pc), which mimics the binuclear centers of methane monooxygenase, as catalysts for methane conversion using H2O2 as an oxidant. In total, 26 transition metal (from group IB to VIIIB) and four main group metal (M = Al, Ga, Sn and Bi) dimers were considered, and two methane conversion routes, namely *O-assisted and *OH-assisted mechanisms were systematically studied. The results show that methane conversion proceeds via an *OH-assisted mechanism on the Ti2-Pc, Zr2-Pc and Ta2-Pc, a combination of *O- and *OH-assisted mechanism on the surface of Sc2-Pc, respectively. Our theoretical work may provide impetus to developing new catalysts for methane conversion and help stimulate further studies on metal dimer catalysts for other catalytic reactions.
Strain-Tuned Spin-Wave Interference in Micro- and Nanoscale Magnonic Interferometers
Authors: Grachev Andrey A. , Sadovnikov Alexandr V. , Nikitov Sergey A.
Published: April 2022

Here, we report on the experimental study of spin-wave propagation and interaction in the double-branched Mach–Zehnder interferometer (MZI) scheme. We show that the use of a piezoelectric plate (PP) with separated electrodes connected to each branch of the MZI leads to the tunable interference of the spin-wave signal at the output section. Using a finite element method, we carry out a physical investigation of the mechanisms of the impact of distributed deformations on the magnetic properties of YIG film. Micromagnetic simulations and finite-element modelling can explain the evolution of spin-wave interference patterns under strain induced via the application of an electric field to PP electrodes. We show how the multimode regime of spin-wave propagation is used in the interferometry scheme and how scaling to the nanometer size represents an important step towards a single-mode regime. Our findings provide a simple solution for the creation of tunable spin-wave interferometers for the magnonic logic paradigm.
Human Adipose-Derived Stem Cell-Conditioned Medium Promotes Vascularization of Nanostructured Scaffold Transplanted into Nude Mice
Authors: Barone Ludovica , Rossi Federica , Valdatta Luigi , Cherubino Mario , Papait Roberto , Binelli Giorgio , Romano Nicla , Bernardini Giovanni , Gornati Rosalba
Published: April 2022

Several studies have been conducted on the interaction between three-dimensional scaffolds and mesenchymal stem cells for the regeneration of damaged tissues. Considering that stem cells do not survive for sufficient time to directly sustain tissue regeneration, it is essential to develop cell-free systems to be applied in regenerative medicine. In this work, by in vivo experiments, we established that a collagen-nanostructured scaffold, loaded with a culture medium conditioned with mesenchymal stem cells derived from adipose tissue (hASC-CM), exerts a synergic positive effect on angiogenesis, fundamental in tissue regeneration. To this aim, we engrafted athymic BALB-C nude mice with four different combinations: scaffold alone; scaffold with hASCs; scaffold with hASC crude protein extract; scaffold with hASC-CM. After their removal, we verified the presence of blood vessels by optical microscopy and confirmed the vascularization evaluating, by real-time PCR, several vascular growth factors: CD31, CD34, CD105, ANGPT1, ANGPT2, and CDH5. Our results showed that blood vessels were absent in the scaffold grafted alone, while all the other systems appeared vascularized, a finding supported by the over-expression of CD31 and CDH5 mRNA. In conclusion, our data sustain the capability of hASC-CM to be used as a therapeutic cell-free approach for damaged tissue regeneration.
Effect of Deformable Baffle on the Mixed Convection of Non-Newtonian Fluids in a Channel-Cavity
Authors: Yaseen Duna , Ismael Muneer
Published: April 2022

A simulation of fluid-structure interaction (FSI) and combined convective heat exchange is accomplished in an open trapezoidal cavity-channel. A non-Newtonian (power law fluid) is inspected within the laminar region. The heat source is simulated by an isothermal hot cavity bottom wall, whereas all the rest solid walls are perfectly insulated. A deformable baffle is fixed at the top wall of the channel and its free end extends towards the open cavity. The location of the deformable baffle on the top wall is varied. The baffle position is investigated together with Richardson number (Ri = 0.01-100) and power law index (n = 0.5-1.5). The problem was solved using finite element method with Arbitrary Lagrangian-Eulerian (ALE) technique. The results are compared with the non-baffled channel. The study shows that the proposed baffled channel enhances the heat transfer notably
The Applicability of Using Automation in Construction in Iraq
Authors: Dakhil Ammar , Naji Zaher , Alsalih Osama
Published: April 2022

Several governments around the world announced new strategies regarding their construction industry. These strategies focus on reducing construction projects' time, cost and improving their impact on the environment. To achieving these goals within the proposed time scale, these authorities advise their stakeholders to start to implement different methods in project delivery such as Building Information Modeling (BIM), Integrated Project Delivery (IPD), Geographic Information System (GIS), and many more. All these new technologies and methods will reduce human errors in the project lifecycle which will lead to reducing project waste. In addition, this will pave the road to automation in construction. Automation will help to mitigate the huge number of clashes and mistakes. Iraq an oil-depended country suffering from economic crises due to the considerable reduction in oil prices. This struggle must enforce the government to use this opportunity to solve current project problems such as project delays and budgets overrun and rethink how to reduce construction project time and cost. However, the applicability and understanding of these new methods and technologies need to be explored first among the Iraqi construction industry. This paper will investigate the understanding of automation in construction among different disciplines working with different experiences in the Iraq construction industry. The method of survey was used to sightsee their view regarding automation in construction understanding, benefits, and the challenges. The results reveal that there a positive view in terms of understating the meaning of automation in construction. In addition, several benefits are identified as the most effective gains if these new methods are implemented. Furthermore, more than a few challenges also have been acknowledged that need to be considered to increase the successfulness of implementing automation in construction.
Acute Effect of Resistance Training on Cognitive Function of Costa Rican Older Adults
Authors: R Hernández-Gambo , J Moncada-Jiménez
Published: April 2022

Different types of exercise interventions have shown to improve cognitive performance; however, there is scarce evidence on the acute effect of resistance training (RT) on cognitions in older adults. The purpose of this study is to determine the acute effect of RT on cognitive performance in healthy older adults. 45 adults (Mean age = 65.3 ± 3.7 yr.) were randomly allocated to one of three groups: high-intensity RT (G1), low-intensity RT (G2), or inactive control (G3). Participants completed cognitive tests assessing processing speed, visuospatial processing, executive function, and cognitive control, working memory and immediate memory. The RT protocol for G1 and G2 consisted of six exercises. A 3x2 ANCOVA was performed with education as a covariate. Significant improvements were found on visuospatial processing in G1 (Pre = 61.6 ± 2.1 vs. Post = 69.7 ± 2.4; 95%CI = 4.8, 11.4; p ≤ 0.001) and G2 (Pre = 62.4 ± 2.2 vs. Post = 67.0 ± 2.5; 95%CI = 1.2, 8.1; p = 0.009). Other tested cognitive abilities were unchanged by acute exercise or rest. Acute RT enhanced or maintained cognitive performance in older adults. It was possible to successfully perform 1RM tests with older adults. Additional evidence is needed to determine effective protocols to improve cognition in older adulthood.
Valentina Rubtsova: “Many of Scriabin's Manuscripts Contain Pages Filled with Mathematical Calculations”
Authors: Ловчикова Ульяна Викторовна
Published: April 2022

В 2022 году отмечается юбилей Александра Николаевича Скрябина - 150 лет со дня его рождения. Издательский дом «Музыка - П. Юргенсон» выпустил полное собрание сочинений, что стало завершением важного этапа в истории изучения творчества композитора и представляет большую ценность как для почитателей или исполнителей его музыки, так и для исследователей. Проведен разносторонний анализ наследия музыканта: рукописей, писем. В интервью с главой редакционной коллегии проекта - Валентиной Васильевной Рубцовой, доктором искусствоведения, заместителем директора по научной работе Мемориального музея А. Н. Скрябина, - затрагиваются проблемы подготовки к выпуску собрания сочинений, обсуждаются творческий путь композитора и, что не менее важно, особенности развития скрябинских идей в искусстве сегодняшнего дня.

2022 is the celebration year for the sesquicen-tenary of the great Russian composer Alexander Scriabin. “Muzyka-P. Jurgenson Publishing House” issued the complete collection of his works marked the completion of an important stage in the history of the study of the composer's work and is of great value which is quite an occasion for performing musicians as well as musicologists. It should be noted that a comprehensive analysis of the composer's archive including music manuscripts, drafts and sketches, correspondence and other sources. Head of the editing board-Valentina V. Rubtsova, Doctor of Art Criticism, Deputy Director for Research at the Scriabin Memorial Museum-speaks about the specific problems of carrying out a large-scale project like a complete collection of works, discusses the artistic legacy of Scriabin and last, but no least, a further development of his music and aesthetic ideas as it can be viewed by a present day listener.
Giulio Caccini: Between Passages and Affected Music
Authors: Верин-Галицкая Алена Дмитриевна
Published: April 2022

Итальянская музыка XVI века дошла до нас лишь частично: сохранился опубликованный и записанный пласт, но не устная практика, предполагавшая многочисленные украшения. Импровизационное мастерство музыканта было определяющим показателем его профессионализма. Джулио Каччини, воспитанный в этой традиции, стал одним из лучших итальянских певцов-виртуозов последней трети XVI века. В отечественном музыковедении Каччини известен в основном как член Флорентийской камераты и один из родоначальников жанра оперы. В статье музыка Каччини рассматривается с точки зрения конфликта старого, «устного» искусства и нового, «письменного» языка. Основания для возникновения этой оппозиции можно найти при анализе биографических сведений, в текстах самого Каччини или в его произведениях, со стенографической точностью сохранивших для нас его виртуозное искусство. Большое внимание в статье уделяется вопросу соотношения слова и музыки, а также уместности использования украшений.

Italian music of the 16 century has reached us only partially: published and written sources have been preserved, but not verbal practice, which involved numerous ornamentations. The improvisational skill of the musician was the defining indicator of his professionalism. Giulio Caccini, brought up in this tradition, became one of the best Italian virtuoso singers of the last third of the 16 century. In Russian musicology, Caccini is known mainly as a member of the Florentine Camerata and one of the founders of the opera genre. In the article, Caccini's music is considered from the point of view of the conflict between the old, “ verbal” art and the new, “written” language. The reasons for this opposition can be found in the analysis of biographical information, in the texts of Caccini himself or in his works, which preserved his virtuoso art for us. Much attention in the article is paid to the issue of the relationship between words and music, as well as the appropriateness of the use of ornamentation
Historical Metamorphoses of the Psalm Tone in Gregorio Allegri's “Miserere”
Authors: Хлюпина Анастасия Александровна
Published: April 2022

В статье предлагается новый подход к изучению рукописей и изданий легендарного «Miserere» Грегорио Аллегри. Отказавшись от попытки реконструировать сочинение на основе имеющихся источников, автор статьи исследует саму традицию фиксации его нотного текста в XVII-XXI веках. Тем самым в фокусе внимания оказывается процесс перехода от импровизируемого многоголосия (в первых рукописях «Miserere», созданных после смерти Аллегри) к строго фиксированному нотному тексту с исполнительскими ремарками (в редакциях второй половины XVIII - начала XXI века). В ходе этой эволюции (проходившей в три этапа) постепенно был утрачен главный элемент композиции «Miserere» - псалмовый тон, лежащий в основе фобурдонных и псалмодических разделов сочинения, что послужило причиной не только редакционных погрешностей, но и «дисбаланса» в восприятии всей композиции.

The article discusses a new approach to the study of manuscripts and editions of the legendary Gregorio Allegri's "Miserere.” Instead of reconstructing the composition on the basis of available sources, the author of the article explores the tradition of fixing the musical text of the composition in 17-21 centuries. Thus, the focus is on the process of transition from improvised polyphony (in the first manuscripts of "Miserere,” created after Allegri's death) to a fixed musical text with performing directions (in the second half of the 18 - early 21 centuries editions). During this evolution (which took place in three phases), the main element of the "Miserere”-the psalm tone, underlying the fauxbourdon and psalmodic sections-was gradually lost, which caused not only editorial errors, but also "imbalance” in the perception of the whole structure.
“Worldwide Demonstration of Igor Fyodorovich's Oeuvre”: Maria Yudina and the Exhibition for Stravinsky's Visit to the USSR
Authors: Михайлова Елена Андреевна
Published: April 2022

К приезду И. Ф. Стравинского в СССР в 1962 году М. В. Юдиной была подготовлена экспозиция, развернувшаяся в залах ленинградского Дома композиторов. Она задумывалась как просветительский проект, призванный познакомить всех желающих с этапами жизни и творчества музыканта. Юдина работала над выставкой больше года - это был важный период в ее жизни. Отзвуки напряженной работы над экспозицией читаются во многих письмах пианистки, однако основное обсуждение концепции и содержания выставки, проблем в поиске и получении материалов состоялось в переписке с Б. И. Загурским. Эти письма хранятся в Отделе рукописей Российской национальной библиотеки и на данный момент не опубликованы. Небольшие фрагменты из них были представлены в 2019 году на виртуальной выставке РНБ. Статья основана на этих письмах Юдиной Загурскому, в ней раскрывается малоизвестная грань удивительной личности великой пианистки в ее соприкосновении с именем великого композитора.

For the arrival of I. F. Stravinsky in the USSR in 1962, M. V. Yudina prepared an exposition that was unfolded in the halls of the Leningrad House of Composers. It was conceived as an educational project, designed to acquaint everyone with the stages of life and work of a musician. Yudina worked on the exhibition for more than a year-it was an important period in her life. Echoes of hard work on the exposition can be read in many of the pianist's letters, but the main discussion of the concept and content of the exhibition, problems in finding and obtaining materials took place in correspondence with B. I. Zagursky. These letters are kept in the Department of Manuscripts of the National Library of Russia and have not been published yet. Small fragments of them were presented in 2019 at the National Library of Russia virtual exhibition. The article is based on these Yudina's letters to Zagursky, it reveals a little-known side of the amazing personality of the great pianist in her contact with the name of the great composer.
On the Manuscripts of Iosif Genishta's Romances from the Library of Countess Sollogub
Authors: Морозов Михаил Романович , Игнатенко Софья Андреевна
Published: April 2022

В статье освещаются некоторые детали истории создания и обстоятельства обнаружения двух вокальных сборников из библиотеки графини М. Ф. Соллогуб, ныне хранящихся в Российском национальном музее музыки и включающих ранее не известные рукописи одиннадцати романсов русского композитора Иосифа Геништы (1795-1853), которые относятся к позднему периоду его творчества (1840-1853). Авторами оценивается их значение для русской музыкальной культуры XIX века, дается краткая характеристика, поднимается вопрос об актуальности их включения в современный концертный репертуар. Впервые в научный оборот вводятся три романса: «Как обман, как упоенье.», «Под тенью ветвистой березы.», «Лесной староста».

The articLe highLights some detaiLs of the history of creation and circumstances of the discovery of two vocaL coLLections from the Library of Countess M. F. SoLLogub, now stored in the Russian NationaL Museum of Music and containing previousLy unknown manuscripts of 11 romances by the Russian taLented composer Iosif Genishta (1795-1853) dating back to the Late work period (1840-1853). Authors evaLuate their significance for Russian musicaL cuLture of the 19 century, make a brief anaLysis, raises the question of the reLevance of their introduction into the nowadays concert repertoire. Three romances are introduced into scientific circuLation for the first time: “Like a Lie, Like a Rapture.,” “Under the Shade of Branched Birch...”, “Forest Headman.”
Salvatore Sciarrino-Maurice Ravel: Instrumental Anamorphose on the Example of the “Night” Compositions
Authors: Бочихина Ольга Евгеньевна
Published: April 2022

Произведения Сальваторе Шаррино «De la nuit» (1971) и «Аnamorfosi» (1981) построены на материале сочинений Мориса Равеля, и нот Равеля в них значительно больше, чем нот самого Шаррино, а «Exerdzio» (1972) является своего рода авторским комментарием Шаррино к собственному опусу «De la nuit». По сути «De la nuit» - это двойной портрет Шаррино - Равеля или, правильнее сказать, Равеля, услышанного ушами Шаррино: такого Равеля, в котором Шаррино больше, чем самого Равеля (несмотря на перевес равелевских нот). «De la nuit» - это квинтэссенция «ночных» сочинений Равеля «Gaspard de la nuit» («Ночной Гаспар») и «Prelude a la nuit» («Прелюдия ночи») из цикла «Rapsodie espagnole» («Испанская рапсодия»). Ночь для Шаррино - это и способ восприятия, и эстетическая категория, и метод творчества, и способ контакта с материалом, равно как и сама материя, и одновременно порог между мирами - Шаррино и Равеля, - порождающий их инструментальное двойничество. С одной стороны, Шаррино становится оптическим прибором, преобразующим в своем сознании звучание оригинала. С другой - таким устройством предстает инструмент или группа инструментов. И в этом отношении их действие сродни действию зеркала или воды, благодаря которым предмет становится менее узнаваемым.

Salvatore Sciarrino's “De la nuit” (1971) and “Anamorfosi” (1981) are based on the works of Maurice Ravel. And there is much more Ravel's music in these than Sciarrino himself. “Exercizio” (1972) is a kind of author's commentary by Sciarrino to his own opus “De la nuit.” In fact, “De la nuit” is a double portrait of Sciarrino and Ravel or, more correctly, Ravel, heard by the ears of Sciarrino. Presence of Sciarrino in this “Ravel” is much more than Ravel himself (despite the preponderance of Ravel's music). “De la nuit” is the quintessence of Ravel's “night” works “Gaspard de la nuit” and “Prelude a la nuit” from the cycle “Rapsodie espagnole.” For Sciarrino, the night is a way of perception, an aesthetic category, a method of composition, a way of contact with the material as well as matter itself, and at the same time the threshold between the worlds of Sciarrino and Ravel: that generates their instrumental doubleness. On the one hand, Sciarrino becomes an optical device that transforms the sound of the original in his mind. On the other hand, such a device appears as an instrument or a group of instruments. In this aspect, their action is akin to the action of a mirror or water surface, thanks to which the object becomes less recognizable.