bluuebunny/crossref_metadata_2025 huggingface dataset:
Structurally Diverse Macrocycle Co-Crystals for Solid-State Luminescence Modulation
Authors: Li Bin , Liu Lingling , Wang Yuan , Li Chunju
Published: February 2023

Organic co-crystals offer an opportunity to fabricate of organic functional materials. Traditional co-crystals are generally packed following the segregated or mixed stacking modes, leading to the lack of structural and functional diversity. Herein, we report three sets of macrocycle co-crystals (MCCs) with identical co-constitutions. The MCCs differed in the stoichiometric ratios (2:1, 1:1, and 2:3) of the constituents and molecular packing modes. The MCCs were constructed using triangular pyrene-macrocycle (Pe[3]) and 1,2,4,5-tetracyanobenzene (TCNB) exploiting exo-wall charge-transfer (CT) interactions. Interestingly, the three co-crystals exhibited distinct, tunable emission properties. The corresponding emission peaks appeared at 575, 602, and 635 nm, covering yellow via orange to red. The X-ray diffraction analyses and the density functional theory (DFT) calculations revealed the superstructure-property relationships that was attributed to the formation of different ratios of CT transition states between the donor and acceptor motifs, resulting in red-shifted luminescence.
On Categoricity of Scattered Linear Orders Of constructive Ranks
Authors: Frolov Andrey , Zubkov Maxim
Published: February 2023

In this article we investigated the complexity of isomorphisms be-tween scattered linear orders of constructive ranks. We gave the general upperbound and proved that this bound is sharp. Also, we constructed examples show-ing that the categoricity level of a given scattered linear order can be an arbitraryordinal from 3 to the upper bound, except for the case when the ordinal is thesuccessor of a limit ordinal. The existence question of the scattered linear orderswhose categoricity level equals to the successor of a limit ordinal is still open.
Jupiter-like planets are common in a low density environment
Authors: Gratton Raffaele , Mesa Dino , Bonavita Mariangela , Zurlo Alice , Estay Sebastian Marino , Kervella Pierre , Desidera Silvano , D'Orazi Valentina , Rigliaco Elisabetta
Published: February 2023

The Solar System is dominated by giant planets slightly out of the ice-line (Jupiter-like planets). Radial velocity surveys suggest that the Solar System may be unusual and that Jupiter-like planets have a frequency < 20% around solar type stars. However, Jupiter-like planets may be much more common in one of the closest association in the solar neighbourhood. Indeed, four massive Jupiter-like planets have been already discovered in the nearby young (age ∼ 20 Myr) β Pic Moving Group (BPMG) from high contrast imaging and the presence of at least four others is suggested by high precision astrometry by the ESA Gaia satellite. There are 20 stars in the BPMG in the mass range 1-2.5 M⊙ but four of them have stellar companions at separations that make the orbits of Jupiter-like planets unstable. In addition a large fraction of the Jupiter-like planets are expected to be undetectable with the available data because of their low mass. We conclude that Jupiter-like planets are common wherever their orbits would be stable (best estimate is close to 100% and it is > 58% at 95% level of confidence) in the BPMG. We briefly discuss how the conundrum with the low frequency found by radial velocity surveys can be reconciled.
Altered Cerebellar Lobular Volumes Correlate with Clinical Deficits in Siblings and Children with ASD: Evidence from Toddlers
Authors: Kumar Manoj , Hiremath Chandrakanta , Khokhar Sunil Kumar , Bansal Eshita , Sagar Kommu John Vijay , Padmanabha Hansashree , Girimaji Akhila , Narayan Shweta , Kishore M Thomas , Yamini BK , Fredo AR Jac , Saini Jitender , Bharath Rose Down
Published: February 2023

Background
Autism Spectrum Disorder (ASD) is a neurodevelopmental disorder characterized by impaired social and communication skills, narrow interests, and repetitive behavior. It is known that the cerebellum plays a vital role in controlling movement and gait posture. However, recently, researchers have reported that the cerebellum may also be responsible for other functions, such as social cognition, reward, anxiety, language, and executive functions.
Methods
In this study, we ascertained volumetric differences from cerebellar lobular volumetric analysis from children with ASD, ASD siblings, and typically developing children. We also performed a correlation analysis of these children's developmental and behavioral measures. In this cross-sectional study, MRI data were acquired under natural sleep when participants aged between 1 and 3 years. Two-way ANOVA and Pearson correlation was performed for statistical data analysis.
Results
We observed intriguing findings from this study, including significantly increased gray matter lobular volumes in vermis, left and right lobule I-V, right CrusII, and right VIIb and VIIIb, respectively, in children with ASD, compared to typically developing healthy controls and ASD siblings. Multiple cerebellar lobular volumes were also significantly correlated with social quotient, cognition, language, and motor scores with children with ASD, ASD siblings, and healthy controls, respectively.
Conclusions
This research finding helps us understand the neurobiology of ASD and critically advances current knowledge about the cerebellar role in ASD. However, results need to be replicated for a larger cohort from longitudinal research.
Reliability and reproducibility of clinical phenotypes developed during the first wave of COVID-19: A validation study in critically ill patients from the second and third wave
Authors: Rodriguez Alejandro , Gómez Josep , Franquet Alvaro , Trefler Sandra , Díaz Emili , Solé-Violán Jordi , Zaragoza Rafael , Papiol Elisabeth , Suberviola Borja , Vallverdú Montserralt , Jimenez-Herrera María , Albaya-Moreno Antonio , Berlanga Alfonso Canabal , Ortíz María del Valle , Ballesteros Juan Carlos , Amor Lucía López , Chinesta Susana Sancho , Laderas Juan Carlos Pozo , Estella Angel , Martín-Loeches Ignacio , Bodi María
Published: February 2023

Background: During the first wave of the COVID-19 pandemic, different clinical phenotypes were published. However, none of them have been validated in subsequent waves, so their current validity is unknown. The aim of the study is to validate the unsupervised cluster model developed during the first pandemic wave in a cohort of critically ill patients from the second and third pandemic waves.
Methods: Retrospective, multicentre, observational study of critically ill patients with confirmed COVID-19 disease and acute respiratory failure admitted from 74 Intensive Care Units (ICU) in Spain. To validate our original phenotypes model, we assigned a phenotype to each patient of the validation cohort using the same medoids, the same number of clusters (n= 3), the same number of variables (n= 25) and the same discretisation used in the development cohort. The performance of the classification was determined by Silhouette analysis and general linear modelling. The prognostic models were validated, and their performance was measured using accuracy test and area under curve (AUC)ROC.
Results: The database included a total of 2,033 patients (mean age 63[53-92] years, 1643(70.5%) male, median APACHE II score (12[9-16]) and SOFA score (4[3-6]) points. The ICU mortality rate was 27.2%. Although the application of unsupervised cluster analysis classified patients in the validation population into 3 clinical phenotypes. Phenotype A (n=1,206 patients, 59.3%), phenotype B (n=618 patients, 30.4%) and phenotype C (n=506 patients, 24.3%), the characteristics of patients within each phenotype were significantly different from the original population. Furthermore, the silhouette coefficients were close to or below zero and the inclusion of phenotype classification in a regression model did not improve the model performance (accuracy =0.78, AUC=0.78) with respect to a standard model (accuracy = 0.79, AUC=0.79) or even worsened when the model was applied to patients within each phenotype (accuracy = 0.80, AUC 0.77 for Phenotype A, accuracy=0.73, AUC= 0.67 for phenotype B and accuracy= 0.66 , AUC= 0.76 for phenotype C )
Conclusion: Models developed using machine learning techniques during the first pandemic wave cannot be applied with adequate performance to patients admitted in subsequent waves without prior validation.
Trial Registration: The study was retrospectively registered (NCT 04948242) on June 30, 2021
A Tablet-based Quantitative Analysis: Diagnostic Value of Digital vs. Conventional Geriatric Complex Figure for Discriminating Patients with aMCI from Healthy Individuals
Authors: Zhang Xiaonan , Zhang Hui , Lv Liangliang , Shen Jiani , Chen Jinyu , Li Yang
Published: February 2023

Background
The population with dementia is expected to rise to 152 million in 2050 due to the aging population worldwide. Therefore, it is of great significance to identify and intervene in the early stage of dementia. The Rey-Osterreth complex figure (ROCF)test is a visuospatial test scale. Its scoring methods are numerous, time-consuming, and have poor consistency, which is unsuitable for wide application as required by the high number of people at risk. Therefore, there is an urgent need for a rapid, objective, and sensitive digital scoring method to accurately detect cognitive dysfunction in the early stage.
Objective
This study aims to clarify the organizational strategy of aMCI patients to draw complex figures through a multi-dimensional digital evaluation system. At the same time, a rapid, objective, and sensitive digital scoring method is established to replace traditional scoring.
Methods
the data of 64 subjects (38 aMCI patients and 26 NC individuals) were analyzed in this study. All subjects completed the tablet's Geriatric Complex Figure (GCF) test, including copying, 3-min recall, and 20-min delayed recall, and also underwent a standardized neuropsychological test battery and classic ROCF test. Digital GCF(dGCF) variables and conventional GCF(cGCF) scores were input into the forward stepwise logistic regression model to construct classification models. Finally, ROC curves were made to visualize the difference in the diagnostic value of dGCF variables vs. cGCF scores in categorizing the diagnostic groups.
Results
In 20 min delayed recall, the time in air and pause time of aMCI patients were longer than NC individuals. And patients with aMCI had more short strokes and poorer ability of detail integration (all p < 0.05). The diagnostic sensitivity of dGCF variables for aMCI patients was 89.47%, slightly higher than cGCF scores (sensitivity: 84.21%). The diagnostic accuracy of both was comparable (dGCF: 70.3%; cGCF: 73.4%). Moreover, the combination of dGCF variables and cGCF scores could significantly improve the diagnostic accuracy and specificity (accuracy:78.1%, specificity: 84.62%). At the same time, we construct the regression equations of the two models.
Conclusions
Our study shows that dGCF equipment can quantitatively evaluate drawing performance, and its performance is comparable to the time-consuming cGCF score. The regression equation of the model we constructed can well identify patients with aMCI in clinical application. We believe that this new approach has the potential to become a digital biomarker for MCI patients.
Characterization of Bacillus thuringiensis bacteriophages: morphogenesis, lytic potentials & inter-simple sequence repeat (ISSR) analysis
Authors: Hassan Amina A. , Ismail I. M. , Afkar Eman
Published: February 2023

Background Insecticidal crystal proteins (ICPs) produced by Bacillus thuringiensis exhibit strong toxicity. Soil bacteriophages destroy the ICPs in nature. Also, environmental pH, temperature, and ultraviolet (UV) radiation shorten the ICP's validity and infectivity. To Enhance the validity of B. thuringiensis insecticidal (ICPs) the soil Bt phages & the environmental parameters such as soil pH, temperature, and UV should be subjected to continuous evaluation.
Result In this study, five B. thuringiensis bacteriophages were isolated, characterized, and named BtØ3, BtØ5, BtØ7, BtØ9, BtØ11. Electron microscopy investigation showed that the five phages have an icosahedral head and a long contractile tail. In addition, the restriction endonuclease BamHI enzyme cleaves the phage genomic DNA suggesting that all five phages have double-stranded DNA (dsDNA) belonging to the order Caudovirales. The various ISSR restriction patterns suggested that the five phages genetically are not similar, and similarity metrics analysis placed the five phages into two clusters.
The reported lytic activity of phages against B. thuringiensis was as follows BtØ7 (100%), BtØ9 (100%), BtØ3(83%), BtØ5(83%), and BtØ11(75%). Moreover, the phages were 17% more effective in lysing B. thuringiensis than the commercial antibiotics.
Conclusion B. thuringiensis phages isolated from this study highlighted the importance of regular assessment of soil conditions and the lytic potentials of naturally occurring Bt phages to protect B. thuringiensis sp, from being attacked or destroyed, and to calculate the exact Bt dose concentration of successful application in pest control, this will enhance the environmental health, food security, and crop safety.
Lipocalin-2-mediated Astrocyte Pyroptosis promotes neuroinflammatory injury via NLRP3 Inflammasome Activation in Cerebral Ischemia/Reperfusion Injury
Authors: Li Juanji , Xu Pengfei , Hong Ye , Xie Yi , Peng Mengna , Sun Rui , Guo Hongquan , Zhang Xiaohao , Zhu Wusheng , Wang Junjun , Liu Xinfeng
Published: February 2023

Background: Neuroinflammation has been recognized as vital pathophysiological process during ischemic stroke. Activated astrocytes play a major role in inflammatory response. Lipocalin-2 (LCN2), secreted from activated astrocytes, promotes neuroinflammation. Pyroptosis, a pro-inflammatory programmed cell death, is emerging as a new area of research on stroke. Nevertheless, the potential role of LCN2 in astrocyte pyroptosis remains unclear.
Methods: Ischemic stroke model was established by middle cerebral artery occlusion (MCAO) in vivo. In vitro, oxygen-glucose deprivation and reoxygenation (O/R) was applied to cultured astrocytes. 24p3R (the LCN2 receptor) was inhibited by astrocyte-specific adeno-associated virus (AAV-GFAP-24p3Ri). We used MCC950 and Nigericin sodium salt (Nig) to inhibit or promote the activation of NLRP3 inflammasome pharmacologically. Histologic and biochemical analysis was performed on the death of astrocytes and neurons both in vivo and in vitro. Besides, the neurological deficit of mice was evaluated.
Results: LCN2 expression was significantly induced in astrocytes 24 hours after stroke onset in mouse MCAO models. Lcn2 knockout (Lcn2-/-) mice exhibited reduced infract volume and improved neurological and cognitive functions after MCAO. LCN2 and its receptor 24p3R were colocalized in astrocytes. Mechanistically, suppression of 24p3R by AAV-GFAP-24p3Ri alleviated pyroptosis pores formation and pro-inflammatory cytokines secretion induced by LCN2, which was then reversed by NLRP3 inflammasome activation inducer Nig. Astrocyte pyroptosis was exacerbated in Lcn2-/- mice by intracerebroventricularly administration of recombinant LCN2 (rLCN2), while the aggravation was restricted by blocking 24p3R or inhibiting NLRP3 inflammasome activation by MCC950.
Conclusion: LCN2/24p3R mediates astrocyte pyroptosis via NLRP3 inflammasome activation following cerebral ischemia/reperfusion injury.
Assessment of the Possibility of Using Ultrasound Imaging in the Treatment of Stress Urinary Incontinence in Women
Authors: Kołodyńska Gabriela , Zalewski Maciej , Mucha Anna , Rożek-Piechura Krystyna , Andrzejewski Waldemar
Published: February 2023

The number of people suffering from urinary incontinence increases every year. Along with it, the knowledge of the society increases that there are various methods of eliminating this ailment.. Both patients and researchers are constantly looking for new treatments for urinary incontinence. One of the new solutions is sonofeedback of the pelvic floor muscles, which may help to strengthen them and thus reduce the problem. The aim of this study was to evaluate the effectiveness of sonofeedback and transvaginal electrostimulation in increasing the bioelectrical activity of pelvic floor muscles in postmenopausal women with stress urinary incontinence. Sixty women with stress urinary incontinence were enrolled in the study. The patients were divided into two groups: A - where sonofeedback was used and B - where electrostimulation of the pelvic floor muscles was performed with biofeedback training. In patients, the resting bioelectrical activity of the pelvic floor muscles was assessed using an electromyograph. The assessment of the resting bioelectrical activity of the pelvic floor muscles was performed before the therapy, after the 5th training and after the therapy. It was observed that after the end of the therapy, the average bioeltrical potential increased by 1.1 µV compared with baseline in group A. It can be suggested that the sonofeedback method is comparatively effective in reducing symptoms that are associated with urinary incontinence as a electrostimulation method with biofeedback training.
Efficacy of oltipraz in preventing acetaminophen-induced liver injury in mice
Authors: Masubuchi Yasuhiro , Mikami Kenji
Published: February 2023

Oltipraz (OPZ) is a synthetic dithiolethione with potential as a cancer chemopreventive agent, which can work by inducing detoxification enzymes. OPZ is an activator of nuclear factor erythroid 2-related factor 2 (Nrf2), suggesting its involvement in enzyme induction and possible protection against drug-induced liver injury. In this study, we present OPZ-induced protection of mice against acetaminophen (APAP)-induced liver injury and discuss its possible contributing factors. Overnight-fasted male CD-1 mice were administered APAP intraperitoneally, and some mice were administered OPZ 16 h before APAP. Hepatotoxicity was assessed by measuring serum alanine aminotransferase leakage and histopathological evaluation. The hepatic mRNA expressions of CYP2E1, glutamate cysteine ligase (GCL), and NAD(P)H:quinone oxidoreductase (NQO1) were measured by real-time reverse-transcription polymerase chain reaction. OPZ protected mice from APAP-induced liver injury in a dose-dependent manner, but did not alter hepatic glutathione (GSH) content or GCL expression in control mice, indicating that its hepatoprotective effect is not due to changes in basal GSH levels. OPZ did not affect CYP2E1 expression or APAP-induced early GSH depletion, suggesting it does not inhibit the metabolic activation of APAP to produce N-acetyl-p-benzoquinone imine. In contrast, after GSH depletion, OPZ accelerated hepatic GSH recovery. APAP significantly increased GCL expression during liver injury, but OPZ treatment only led to additional NQO1 expression. This suggests that NQO1 is responsible for the enhanced GSH recovery and protection against APAP-induced liver injury seen in OPZ-treated mice. In summary, OPZ protects against APAP-induced liver injury by inducing NQO1 expression and resulting in improved GSH recovery.
Direct reprogramming of hippocampal astrocytes ameliorates recognition memory in mice with cerebral ischemia
Authors: Fukui Yusuke , Morihara Ryuta , Hu Xinran , Nakano Yumiko , Yunoki Taijun , Takemoto Mami , Abe Koji , Yamashita Toru
Published: February 2023

The therapeutic potential of suppressing polypyrimidine tract-binding protein 1 (Ptbp1) messenger ribonucleic acid (RNA) by viral transduction in a post-stroke dementia mouse model has not yet been examined. In this study, 3 days after cerebral ischemia, we injected a viral vector cocktail containing adeno-associated virus (AAV)-pGFAP-mCherry and AAV-pGFAP-CasRx (control vector) or a cocktail of AAV-pGFAP-mCherry and AAV-pGFAP-CasRx-SgRNA-(Ptbp1) (1:5, 1.0 × 1011 viral genomes) into post-stroke mice via the tail vein. mCherry/GFAP double-positive astrocyte-like glia were converted into new mCherry/NeuN double-positive neuron-like cells with morphological changes in the hippocampus 56 days after cerebral ischemia. The new cells integrated into the dentate gyrus and recognition memory was significantly ameliorated. These results demonstrated that the in vivo conversion of hippocampal astrocyte-like glia into functional new neurons by the suppression of Ptbp1 might be a therapeutic strategy for post-stroke dementia.
Design and analysis of quad-band polarization-insensitive infrared perfect metamaterial absorber with a wide-incident angle
Authors: Abouelez Ahmed Elsayed , Abdulaleem Mohamed Nady
Published: February 2023

A novel quad-band infrared perfect metamaterial absorber (QPMA) is proposed and numerically investigated. The structure of the QPMA is composed of coaxial multi-layer dielectric (SiO2) disks of circular shape with different diameters where each disk is surrounded by a gold ring. All disks are placed on a SiO2 dielectric spacer and an impermeable gold ground layer. Simulation results reveal that the proposed absorber has four absorption peaks around wavelengths of 1064 nm, 1550 nm, 2080 nm, and 3000 nm. Additionally, the QPMA structure enjoys a good absorption performance for a wide range of incident angles for both TE and TM waves. It achieves absorption greater than 85% at incident angles up to 40o at 1064 nm, and absorption greater than 90% for the other bands at incident angles up to 50o. Moreover, due to the symmetrical shape of the structure, the absorption is insensitive to wave polarization changes. The structure under investigation will help in laser stealth, infrared photodetection, and medical applications due to perfect absorption performance and multi-band capability.
Extracellular metabolites production by Streptomyces sp. CACIS-1.16CA and their effects on soil-borne phytopathogenic fungi
Authors: Vargas-Gómez Karen Alejandra , Evangelista-Martínez Zahaed , Gastélum-Martínez Élida , Quiñones-Aguilar Evangelina Esmeralda , Rincón-Enríquez Gabriel
Published: February 2023

The most common reason for a decrease in the quantity and quality of produced crops is microbial diseases. This study evaluated the antifungal activity of Streptomyces sp. CACIS-16CA against few plant pathogenic fungi. Several fungal pathogens were tested using dual confrontation assays. The anti-fungal activities of CACIS-1.16CA and S. lydicus WYEC108 against Phytophthora capsici, Fusarium oxysporum, and Rhizoctonia solani were evaluated. Additionally, effect of bioactive extract (BE) from CACIS-1.16CA on the germination of conidia from various fungi was evaluated. Results indicated that Streptomyces sp. CACIS-16CA showed a higher percentage of anti-fungal activity (percentage of inhibition (PI), over 43%) than S. lydicus. Moreover, CACIS-1.16CA strain exerted higher percentage of inhibition (PI) against the three damping-off pathogenic fungi (P < 0,05). The BE of CACIS-1.16CA inhibited the conidial germination of Alternaria sp., Botrytis cinerea, and Colletotrichum spp. In conclusion, for the treatment of several plant fungal diseases, Streptomyces sp. CACIS-16CA may be an effective and natural alternative.
Piperlongumine prospective COX-2 inhibitors were screened virtually using molecular docking, molecular dynamics simulations, and free energy calculations
Authors: Singh Indrajeet , Kumar Sanjay , Mishra Hara Prasad , Kumar Ajay
Published: February 2023

Acquired drug resistance is one of the key clinical problems and the main downsides of chemotherapy regimens for colorectal cancer. Using blend regimens, which mix conventional chemotherapeutic medications through plant-derived natural compounds derived from food or vegetation, is one of the most popular and efficient ways to overcome drug resistance and re-sensitize chemotherapy-resistant cells. Colorectal cancer is amongst the most common cancers.
A New Cluster Validity Index for Fuzzy Clustering Using Separation and Compactness
Authors: Chen Jiashun , Zhong Zhaoman , Chen Jianjing , Zhang Hao
Published: February 2023

Aiming at weak point of classical validity index based on Euclidean distance, we proposed a new validity index which based on Non-Euclidean Distance. First of all, we constructed compact index by using improved membership degree and then made use of anti-close degree to constructed separation index. Finally, a new validity index based on these was proposed. This method overcame the drawbacks of classical validity index based on Euclidean distance, which did not correctly reflect the relation of intra-class and inter-class. Experiments on different datasets show that new method has good performance in noise data environment. The capacity of new method is superior to others with regard to cope with overlap dataset. New method has more obvious superiority especially on high dimensional dataset.
STRUCTURAL EQUATIONS MODELING OF THE DIGITALIZATION PROCESS INFLUENCE ON THE DEVELOPMENT OF THE EDUCATIONAL SERVICES MARKET
Authors: Hrytsenko Konstantin , Sydorenko Anastasiia , Hrytsenko Avhusta
Published: February 2023

The educational services market functions under the influence of numerous factors that have both direct and indirect effects on it. In today's conditions, they primarily include the digitalization process, the characteristic feature of which is its impact on all spheres of social life, and the educational services market is no exception. The digitization process ensures the formation of the necessary digital competencies in the population and the employment of qualified personnel in the field of IT. The question of researching the impact of the digitalization process on the development of the educational services market is becoming more and more relevant and is especially acute in the conditions of the COVID-19 pandemic and the Russian invasion of Ukraine. The information base of the conducted research is official statistical data of Eurostat and the European Commission, analytical reports and scientific publications of domestic and foreign authors regarding the connection between the digitization process and the development of the educational services market. In the countries of the European Union, the digitalization process is an integral element of their development, its strategic orientations are defined in the document “Digital Compass 2030: The European Path of the Digital Decade”, which aims to the improvement of digital capabilities in infrastructure and education, as well as in the digital transformation of business and public services .
The study was conducted on the dataset of indicators of 27 European countries characterizing the digitalization process and the development of the educational services market in 2021, by modeling structural equations using the PLS-SEM partial least squares method. The results of the conducted research confirmed the existence of a statistically significant positive impact of the digitization process on the development of the educational services market as a whole at the level of the structural model. Such indicators as the level of household Internet access, the employment of IT specialists, state financing of education, and the share of the population with higher education are statistically significant and relevant within the measurement models. Taking into account the European integration vector of Ukraine's development, the research results can be used to harmonize the process of digitalization of the economy and the transformation of the educational services market of Ukraine, in particular in the direction of expanding the level of access to the Internet and stimulating employment in the IT sphere.
CARBON NEUTRALITY OF UKRAINE BY 2050
Authors: Khomenko Liliia , Chygryn Olena , Shevchenko Kateryna , Bilan Yuriy , Ponomarenko Ihor
Published: February 2023

The article presents the research results on some aspects of achieving carbon neutrality in Ukraine. Carbon neutrality is a challenge for the whole world. In 2020, the concentration of greenhouse gases in the atmosphere reached a historical maximum. The work aims to study the features of achieving carbon neutrality in Ukraine. The tasks of the work are the analysis of the components of the transition to low-carbon development, analysis of the consumption of fossil fuels, and activities related to the preservation of forests, natural steppe, and meadow ecosystems. Interest in carbon neutrality issues grows yearly, with a particularly in 2021-2022. Most articles on carbon neutrality were published by scientists from China, the USA, Great Britain, Turkey, and Pakistan. They are mainly devoted to carbon dioxide emissions, economic growth, renewable energy, energy consumption, financial development, co-integration, dioxin emissions, etc. Positive trends regarding the achievement of carbon neutrality have been identified: the supply of natural gas, coal, and peat has decreased, while the supply of renewable energy sources has increased; the share of coal and peat decreased by 26.4%, and the percentage of energy produced from renewable sources increased to 6.6%; the use of coal and peat decreased by 8.5%, natural gas by 5%, and biofuels increased by 16%; the share of biofuel use increased to 5.8%. Expenditures for environmental protection increased by 88.5%, for preserving biodiversity and habitat - by 3.6 times, and costs for air protection and climate change problems - by 2.5 times. The share of expenditures on the protection of biodiversity and habitat increased to 3.2%, and costs on atmospheric air protection and climate change problems to 19.3%. Negative trends that restrain the development of a carbon-neutral economy were also revealed: a low share of renewable sources in the structure of supply and use. Thus, the percentage of biofuel in aggregate use remains low - only 5.8% in 2020. The area of forest loss is increasing, and the area of forest regeneration has decreased by 36%. The area of reforestation remained at the same level, but the area of afforestation decreased ten times during 2010-2020.
S2BMM PLATFORM FOR «BUSINESS-SCIENCE» COOPETITION: EXPERIENCE AND PROSPECTS FOR UKRAINE
Authors: Koibichuk Vitalia , Samoilikova Anastasiia , Habenko Mariia
Published: February 2023

The article is devoted to the issue of “business-science” coopetition and especially the analysis of S2BMM platform for “business-science” coopetition to investigate experience and prospects for Ukraine. It is grounded that the issue of coopetition between business and scientists is quite difficult in Ukraine. Scientists often face the problem of unrealized potential. Many good ideas and projects often go unnoticed. Ukrainian business, in turn, is more inclined to foreign partners for the development of a new scientific product. So, a small number of entrepreneurs pay attention to Ukrainian scientists. Nevertheless, Ukrainian business and science have a great potential for developing innovations, but the main aspect is the need being noticed by other economic agents and partners, who will be able to finance and take the product for implementation. Thus, the main research purpose is to analyse a new platform for coopetition between business and science in new realities, to determine opportunities and prospects of “Science 2 Business” online platform for “business-science” coopetition. The bibliometric analysis of the Scopus data using the VosViewer software, and the Scopus toolkit allowed to compare the number of indexed publications by the search request, as ““business-science” coopetition”, ““business-science” cooperation” and ““business-science” cooperation platform” in titles, abstracts, and keywords of indexed publications. The dynamic analysis of scholars’ interest and publishing activity on the issue of “business-science” cooperation platform was also conducted. Due to bibliometric analysis the map based on the bibliometric data from the Scopus database was created, and 5 clusters of research in this scientific sphere were identified. The peculiarities of “business-science” coopetition, the advantages, and prospects of using an online platform for coopetition between business and scientists were determined. The opportunities provided by the collaboration platform for each participant were considered. Modern scientific projects that are successful on the territory of Ukraine were also analysed.
Comparative Feasibility Analysis of Mechanized Equipment for Vineyard Operations
Authors: Signorini Guilherme , Lewis Ivey Melanie L.
Published: February 2023

Increasing labor and input costs have driven wine grape (Vitis vinifera) growers’ attention to mechanized equipment to assist in vineyard operations. This study evaluates the financial feasibility of investing in vineyard mechanization, in addition to the released intelligent sprayer in hypothetical wine grape vineyards of varying sizes. Our comparative analysis illustrates how mechanization of vineyard practices affects costs and financial metrics. We conducted a cost–benefit analysis for seven investment scenarios and examined the economic performance of four metrics. Our findings suggest that investing in a mechanized trimmer is most effective for growers exposed to labor shortages and high wages. A retrofitted intelligent sprayer is superior for reducing input use and associated costs.
Four secondary malignancies, coronary artery disease, aortic atherosclerosis and severe constrictive pericarditis in a survivor of hodgkin lymphoma treated with radiation therapy: a case report
Authors: Jeri-Yabar A. , Garazatua-Gonzalez J. , Montoya-Rivera W. , Ortuzar-Seminario V. , Lozada Zingoni C. , Massuco V.
Published: February 2023

Introduction. Radiation therapy (RT) has been widely used since the 1970s in the treatment of Hodgkin’s lymphoma. RT increases the risk of secondary malignancies and heart disease including coronary artery disease, noncoronary atherosclerotic valvular disease, valvular dysfunction, pericardial disease and radiation induced vasculopathy.

Case Presentation. We describe a case of a patient with 4 secondary malignancies due to previous RT including parotid mucoepidermoid carcinoma, breast multicentric infiltrating ducta, thyroid papillary microcarcinoma with follicular pattern and lung adenocarcinoma that later presented with severe constrictive pericarditis, which led to an emergency pericardiectomy – all of these were complications of her previous radiotherapy. She received a prompt diagnosis and treatment.

\Discussion. Radiation-induced vascular disease (RIVD) occurs due to endothelial injury following RT; patients have up to 3–4 fold increase in risk of myocardial infarction due to CAD, therefore screening of CAD with a CT coronary angiography is recommended to begin 5 years after receiving RT in patients 45 and older and 10 years after RT in patients <45 years old. Radiation induced secondary malignancies (RISM) are seen in 17–19 % of cases and the risk increases by time since last RT session. Many factors contribute to the risk severity of developing RISM such as age of radiation, dosage and size of the area irradiated, and radiation technique. Lung and breast cancer are the most common forms of second malignancy. A prompt screening, diagnosis and treatment of the RT complications are vital and should be prioritized in every control.
Common Ɣ-chain cytokine receptors as functional phenotype markers of PD-1and TIM-3-positive T cells in multiple myeloma
Authors: Batorov E. V. , Aristova V. A. , Ushakova G. Yu. , Sizikova S. A. , Denisova V. V. , Shevela E. Ya. , Ostanin A. A. , Chernykh E. R.
Published: February 2023

T cells expressing checkpoint receptors PD-1, TIM-3 etc., are potential targets for monoclonal antibody immunotherapy in multiple myeloma (MM). However, checkpoint expressing T cell compartment includes different subsets, and their dysregulation following anti-checkpoint therapy can lead to the development of adverse events.

The aim of this study was to evaluate activation markers – homeostatic cytokine receptors and transcription factors expressed by PD-1and TIM-3-positive T cells.

Material and Methods. Relative counts of circulating PD-1and/or TIM-3-positive and negative T cells expressing common ɣ-chain cytokine receptors CD25, CD122, CD127, phosphorylated STAT5, and transcription factor EOMES associated with T cell exhaustion were studied using flow cytometry in 17 healthy donors, 22 MM patients with remission and 7 MM patients with progressive disease.

Results. T cells expressing PD-1 and/or TIM-3 inhibitory checkpoint receptors in MM patients consisted of CD25+EOMESactivated cells, CD4+CD25+CD127-FOXP3+ regulatory T cells (Treg), CD4+CD25-EOMES+ dysfunctional cells. CD25+ T cells from healthy donors and MM patients, regardless of the expression of the studied checkpoint receptors, were EOMES-negative. No such association was found for CD122 and CD127 cytokine receptors. EOMES is a marker of T cell exhaustion for CD4+ T cells, but not for CD8+ T cells, in which it is more associated with activation. The proportion of CD4+ Tregs among circulating PD-1+ and TIM-3+ T cells was relatively low. A higher content of cytokine receptors in the population of TIM-3+ T cells may indicate the predominant involvement of TIM-3 in the control of homeostatic proliferation of mature T cells under lymphopenic conditions, while the expression of PD-1 may be more associated with the regulation of activation through T cell receptor. PD-1+ and/or TIM-3+ levels of activated, dysfunctional, and regulatory T cells can potentially be used to predict the safety and efficacy of targeted immunotherapy.
Feasibility of predicting the evolution of cerebral gliomas based on study of microRNA expression levels in blood plasma and saliva
Authors: Seliverstov R. Yu. , Zaraiskii M. I. , Gurchin A. F. , Kataeva G. V. , Tyurin R. V. , Naryshkin A. G. , Valerko V. G.
Published: February 2023

The management of cerebral glioma (CG) remains challenging. Recently, methods based on the study of the expression levels of miRNAs in blood plasma have proven to be promising. The volume of tumor tissue is known to correlate with increased expression levels of microRNA-21 and -210. MicroRNA-15, -16, -34, -126 and -342 are involved in the regulation of tumor proliferative potential, and microRNA-128 is involved in the regulation of metabolic activity.

The aim of the study was to evaluate the extended protocol for assessing the expression of microRNA-15, -16, -21, -34, -126, -128, -210, and -342 in the plasma and saliva of CG patients.

Material and Methods. The study group consisted of 24 patients with supratentorial glioma (8 men and 16 women aged 41 to 71 years, mean age: 56 years). The control group consisted of 30 volunteers. MicroRNA expression was studied in plasma and saliva according to the StemLoop-RealTime protocol, using fluorescently labeled samples with small miRNA U6 as a reference gene. Statistical analysis was carried out using nonparametric methods.

Results. The lack of CG stabilization and the most probable progression of the tumor with a poor prognosis was related to an increase in microRNA-21 and -210 expression levels and decrease in microRNA-128 expression and at least four of microRNA 15, -16, -34, -126, and -342. Stabilization of CG with a high probability of progression was associated with an increase in microRNA-21 or microRNA210 expression levels, decrease in no more than three of microRNA-15, -16, -34, -126, -342 expression levels as well as decrease in microRNA-128 expression. Stabilization of the tumor with a low probability of progression was associated with a decrease in the expression of microRNA-21 and -210 and in no more than one of miRNA-15, -16, -34, -126, -342 below the reference level, with a simultaneous increase in miRNA-128 expression.

Conclusion. The determination of microRNA expression in blood plasma and saliva can be one of the important criteria for assessing the prognosis of CG.
LIMCH1 protein expression associated with lymph node metastasis in breast cancer
Authors: Alifanov V. V. , Tashireva L. A. , Zavyalova M. V. , Perelmuter V. M.
Published: February 2023

Background. Lymph node metastasis in breast cancer is not only a variant of cancer progression, but is also associated with the development of hematogenous metastases. The LIMCH1 protein is involved in the mesenchymal type of migration due to the activation of non-muscle myosin IIA.

The objective of the study was to investigate the association of different LIMCH1 protein expression variants with lymph node metastasis.

Material and Methods. The retrospective study included 53 patients with invasive breast carcinoma of no special type. The study group included all molecular genetic types (luminal A, luminal B, HER2-positive and triple negative). The median age of the patients was 55.4 ± 14 years. According to the TNM classification, patients had stage T1–3N0–3M0 breast cancer. The patients did not receive preoperative chemotherapy. The expression of the LIMCH1 protein in tumor cells was assessed using immunohistochemistry. Anti-LIMCH1Prestige (HPA004184, Sigma Aldrich, Germany) and anti-LIMCH1-C-term (SAB2700402, Sigma Aldrich, Germany) antibodies were used.

Results. Lymph node metastases were more frequent in patients with LIMCH1 protein expression in tumor cells. This is true for cytoplasmic expression of the LIMCH1 protein detected by the CH domain, but not for submembrane expression or expression of the LIMCH1 protein detected by the LIM domain, regardless of localization in the cell. This phenomenon was not associated with the morphological heterogeneity of breast cancer. The most unfavorable factor for worse metastasis-free survival is the combination of the presence of lymph node metastases and cytoplasmic expression of the LIMCH1 protein detected by the CH domain.

Conclusion. The development of synchronous lymph node metastases in breast cancer is associated with the presence of cytoplasmic expression of the LIMCH1 protein detected by the CH domain in the primary tumor tissue.
Development of in vitro laboratory models of the tumor immune microenvironment to evaluate quality parameters and specific efficacy of the dendritic cell vaccine
Authors: Nekhaeva T. L. , Danilova A. B. , Fedoros E. I. , Efremova N. A. , Emelyanova N. V. , Blokhina M. L. , Yurova M. N. , Tyndyk M. L. , Baldueva I. A.
Published: February 2023

Purpose of the study:development ofin vitrolaboratory models to evaluate quality parameters and specific efficacy of dendritic cell vaccine (DCV).

Material and Methods.Biological samples of malignant tumor patients treated with autologous dendritic cell vaccine (DC) were included into the study. Immature DCs (n=46) and mature DCs (n=56) were used to induce proliferation of antigen-specific T lymphocytes (n=227). Autologous tumor cells from skin melanoma (n=10) or sarcoma (n=8) patients in the xCELLigence® assay system were used to study thein vitroantitumor cytotoxic activity of generated CTLs (n=18). The secretion of cytokines and cytolytic proteins was studied by multiplex analysis. The subpopulation composition of effector T-lymphocytes was determined by flow cytometry.

Results.We revealed that mature DCs (CD83+CD1a-) had a high expression of antigen presenting molecules (HLA-DR) and those providing migration of DCs into lymph nodes (CCR7) as well as costimulatory molecules CD80 and CD86 as compared to immature DCs (CD83-CD1a+). Induction of mature DCs was found to stimulate an increase in the relative content of proliferating T cells compared with stimulation of immature DCs (p<0.001) and specific PTA+ tumor lysate (p<0.001). When studying cytotoxic activity of effector T-lymphocytes, we developed 2Din vitromodels using xCELLigence® analytical system and revealed 2 types of interaction: 1)in vitromodel № 1 – decrease in cell index (CI) of autologous tumor cell culture in the presence of activated effector T lymphocytes; 2)in vitromodel № 2 – no change in CI of autologous tumor cell culture when co-cultured with activated effector T cells compared to control (72 h observation). The results demonstrated cytotoxic activity of antigen-specific T lymphocytes due to high content of terminally differentiated cytotoxic T lymphocytes (TEMRA), GrB-producing CTLs, and cytokine secretion profile.

Conclusion.Requirements for the quality of personalized autologous DCs, including control of immunophenotypic characteristics were developed, and functional activity of Tlymphocytes during induction of mature vaccine DCs was evaluated. A laboratory procedure was developed for quantitative assessment of cytotoxic activity of antigen-specific T-lymphocytes against autologous tumor using the xCELLigence® analytical system, thus allowing for personalized monitoring and predicting the effectiveness of DСV treatment.
Increased activity of enzymes involved in purine metabolism as one of the factors of rectal cancer pathogenesis
Authors: Zuikov S. A. , Polunin G. E.
Published: February 2023

Aim: to study changes in the activities of purine nucleotide degradation enzymes – adenosine deaminase (ADA) and xanthine oxidase (XO) in patients with rectum cancer (RC).

Material and Methods. The activity of purine nucleotide degradation enzymes was studied in blood plasma and tissue homogenates: tumor tissue and normal rectal mucosa in 70 patients with stage I–IV RC. The histological type of RC was adenocarcinoma. The levels of ADA and XO activities were measured using spectrophotometry.

Results. The activity of ADA and XO in blood serum of RC patients was significantly higher than that of healthy people. A significant increase in the activity of ADA and XO in tumor tissue compared to normal tissue was also found. The relationship between the activities of the enzymes of purine catabolism in blood plasma and tissues were revealed. An increase in purine catabolism depending on the stage of RC was found.

Conclusion. The increased ADA and XO activities indicated the enhanced purine catabolism not only in malignant transformation, but also in tumor progression.
Codebase release 1.3 for SymTensor
Authors: Gao Yang , Helms Phillip , Chan Garnet Kin-Lic , Solomonik Edgar
Published: February 2023

Tensor contractions are ubiquitous in computational chemistry and
physics, where tensors generally represent states or operators and
contractions express the algebra of these quantities. In this context,
the states and operators often preserve physical conservation laws,
which are manifested as group symmetries in the tensors. These group
symmetries imply that each tensor has block sparsity and can be stored
in a reduced form. For nontrivial contractions, the memory footprint and
cost are lowered, respectively, by a linear and a quadratic factor in
the number of symmetry sectors. State-of-the-art tensor contraction
software libraries exploit this opportunity by iterating over blocks or
using general block-sparse tensor representations. Both approaches
entail overhead in performance and code complexity. With intuition aided
by tensor diagrams, we present a technique, irreducible representation
alignment, which enables efficient handling of Abelian group symmetries
via only dense tensors, by using contraction-specific reduced forms.
This technique yields a general algorithm for arbitrary group symmetric
contractions, which we implement in Python and apply to a variety of
representative contractions from quantum chemistry and tensor network
methods. As a consequence of relying on only dense tensor contractions,
we can easily make use of efficient batched matrix multiplication via
Intel’s MKL and distributed tensor contraction via the Cyclops library,
achieving good efficiency and parallel scalability on up to 4096 Knights
Landing cores of a supercomputer.