bluuebunny/crossref_metadata_2025 huggingface dataset:
Medical Image-Based Diagnosis Using a Hybrid Adaptive Neuro-Fuzzy Inferences System (ANFIS) Optimized by GA with a Deep Network Model for Features Extraction
Authors: Rashed Baidaa Mutasher , Popescu Nirvana
Published: February 2024

Predicting diseases in the early stages is extremely important. By taking advantage of advances in deep learning and fuzzy logic techniques, a new model is proposed in this paper for disease evaluation depending on the adaptive neuro-fuzzy inference system (ANFIS) with a genetic algorithm (GA) for classification, and the pre-trained DenseNet-201 model for feature extraction, in addition to the whale optimization algorithm (WOA) for feature selection. Two medical databases (chest X-ray and MRI brain tumor) for the diagnosis of two disease types were used as input in the suggested model. The optimization of ANFIS parameters was performed by GA to achieve the optimum prediction capability. DenseNet-201 for feature extraction was employed to obtain better classification accuracy. Having more features sometimes leads to lower accuracy, and this issue can be rectified using a feature selection strategy WOA which gave good results. The proposed model was evaluated utilizing statistical metrics root mean square error (RMSE), mean square error (MSE), standard deviation (STD), and coefficient of determination (R2), and it was compared with the conventional ANFIS model, with the proposed model (ANFIS-GA) showing a superior prediction capability over the ANFIS model. As a result, it can be concluded that the proposed ANFIS-GA model is efficient and has the potential for a robust diseases evaluation with good accuracy. Also, we conclude from this work that integrating optimization algorithms with ANFIS boosts its performance, resulting in a more accurate and reliable model.
Further Results on the Input-to-State Stability of a Linear Disturbed System with Control Delay
Authors: Enciu Daniela , Toader Adrian , Ursu Ioan
Published: February 2024

In this paper, a theorem is obtained that gives sufficient input-to-state stability conditions for linear systems with control delay and additive disturbances. Stabilizing feedback is considered available in the absence of delay and disturbances. The mathematical tools are the Lyapunov–Krasovskii functional, the Jensen inequality and the double Hadamard inequality. The critical delay is highlighted.
A Fuzzy Logic Inference Model for the Evaluation of the Effect of Extrinsic Factors on the Transmission of Infectious Diseases
Authors: Kalampakas Antonios , Samanta Sovan , Bera Jayanta , Das Kinkar Chandra
Published: February 2024

COVID-19 is a contagious disease that poses a serious risk to public health worldwide. To reduce its spread, people need to adopt preventive behaviours such as wearing masks, maintaining physical distance, and isolating themselves if they are infected. However, the effectiveness of these measures may depend on various factors that differ across countries. This paper investigates how some factors, namely outsiders’ effect, life expectancy, population density, smoker percentage, and temperature, influence the transmission and death rate of COVID-19 in ninety-five top-affected countries. We collect and analyse the data of COVID-19 cases and deaths using statistical tests. We also use fuzzy logic to model the chances of COVID-19 based on the results of the statistical tests. Unlike the conventional uniform weighting of the rule base in fuzzy logic, we propose a novel method to calculate the weights of the rule base according to the significance of the factors. This study aims to provide a comprehensive and comparative analysis of the factors of COVID-19 transmission and death rates among different countries.
Bi-Objective Optimization for Interval Max-Plus Linear Systems
Authors: Wang Cailu , Zhang Jiye , Chen Pengcheng , Zhao Haichao
Published: February 2024

This paper investigates the interval-valued-multi-objective-optimization problem, whose objective function is a vector-valued max-plus interval function and the constraint function is a real-affine function. The strong and weak solvabilities of the interval-valued-optimization problem are introduced, and the solvability criteria are established. A necessary and sufficient condition for the strong solvability of the multi-objective-optimization problem is provided. In particular, for the bi-objective-optimization problem, a necessary and sufficient condition of the weak solvability is provided, and all the solvable sub-problems are found out. The interval optimal solution is obtained by constructing the set of all optimal solutions of the solvable sub-problems. The optimal load distribution is used to demonstrate how the presented results work in real-life examples.
Flapping Tremor: Unraveling Asterixis—A Narrative Review
Authors: Rissardo Jamir Pitton , Muhammad Sara , Yatakarla Venkatesh , Vora Nilofar Murtaza , Paras Paras , Caprara Ana Letícia Fornari
Published: February 2024

Asterixis is a subtype of negative myoclonus characterized by brief, arrhythmic lapses of sustained posture due to involuntary pauses in muscle contraction. We performed a narrative review to characterize further asterixis regarding nomenclature, historical aspects, etiology, pathophysiology, classification, diagnosis, and treatment. Asterixis has been classically used as a synonym for negative myoclonus across the literature and in previous articles. However, it is important to distinguish asterixis from other subtypes of negative myoclonus, for example, epileptic negative myoclonus, because management could change. Asterixis is not specific to any pathophysiological process, but it is more commonly reported in hepatic encephalopathy, renal and respiratory failure, cerebrovascular diseases, as well as associated with drugs that could potentially lead to hyperammonemia, such as valproic acid, carbamazepine, and phenytoin. Asterixis is usually asymptomatic and not spontaneously reported by patients. This highlights the importance of actively searching for this sign in the physical exam of encephalopathic patients because it could indicate an underlying toxic or metabolic cause. Asterixis is usually reversible upon treatment of the underlying cause.
Urinary Post-Translationally Modified Fetuin-A (uPTM-FetA) in Chronic Kidney Disease Patients with and without Diabetic Kidney Disease
Authors: Musolino Michela , Greco Marta , D’Agostino Mario , Tripodi Loredana , Misiti Roberta , Dragone Francesco , Cianfrone Paola , Zicarelli Mariateresa , Foti Daniela Patrizia , Andreucci Michele , Bolignano Davide , Coppolino Giuseppe
Published: February 2024

Background and Objectives: A novel post-translational modification (PTM) fragment derived from the cleavage of Fetuin-A (PTM-FetA) has recently emerged as a sensitive biomarker for kidney damage in diabetic patients, but evidence in other chronic renal diseases is lacking. In this pilot study, we aimed at evaluating the clinical significance of urinary PTM-FetA (uPTM-FetA) in a mixed cohort of patients with non-advanced chronic kidney disease (CKD) secondary to diabetic kidney disease (DKD) or other causes. Materials and Methods: We enrolled 47 adult patients with CKD (mean CKD-Epi 40.10 ± 16.5 mL/min/1.73 m2) due to DKD (n = 34) or other etiology (n = 13). uPTM-FetA was measured in the urine using a commercially available ELISA kit. Fifteen healthy individuals served as controls. Results: Collectively, all CKD patients displayed remarkably higher levels of uPTM-FetA than controls (0.84 [0.10–1.15] vs. 29.68 [2.50–55.16] ng/mL p = 0.0005), but values were lower in non-DKD than in DKD patients (1.66 [0.09–4.19] vs. 13.9 [0.01–45.02] ng/mL; p = 0.01). uPTM-FetA showed a great diagnostic capacity at ROC analyses to identify the presence of CKD (AUC 0.776; p < 0.001) and, within CKD patients, to discriminate the diabetic and non-diabetic etiology (AUC 0.673; p = 0.02). At multivariate correlation analyses, proteinuria (β = 0.442; p = 0.02) and BMI (β = −0.334; p = 0.04) were the sole independent predictors of uPTM-FetA in this study population. Conclusions: uPTM-FetA could be a novel sensitive biomarker at the crossroad of chronic renal damage and metabolic dysfunction. Additionally, this biomarker could also represent a non-invasive, complementary tool for discriminating among different CKD etiologies (DKD vs. non-DKD) in difficult cases or when renal biopsy is not available.
Mechanical Properties of Thermally Annealed Cu/Ni and Cu/Al Multilayer Thin Films: Solid Solution vs. Intermetallic Strengthening
Authors: Zhou Yang , Wang Junlan
Published: February 2024

In this study, Cu/Ni and Cu/Al multilayers, with individual layer thickness varying from 25 nm to 200 nm, and co-sputtered Cu-Ni and Cu-Al single layer films were deposited at room temperature via magnetron sputtering and further annealed from 100 °C to 300 °C. The mechanical and microstructural properties of the as-deposited and annealed samples were characterized by nanoindentation, x-ray diffraction, and scanning electron microscopy. Both multilayer systems exhibit an increase in hardness with increasing annealing temperature. However, the Cu/Ni system shows a gradual and moderate hardness increase (up to 30%) from room temperature to 300 °C, while the Cu/Al system displays a sharp hardness surge (~150%) between 125 °C and 200 °C. The co-sputtered Cu-Ni and Cu-Al samples consistently demonstrate higher hardness than their multilayered counterparts, albeit with distinctly different temperature dependence—the hardness of Cu-Ni increases with annealing temperature while Cu-Al maintains a constant high hardness throughout the entire temperature range. The distinct thermal strengthening mechanisms observed in the two metallic multilayer systems can be ascribed to the formation of solid solutions in Cu/Ni and the precipitation of intermetallic phases in Cu/Al. This study highlights the unique advantage of intermetallic strengthening in metallic multilayer systems.
Microstructure-Informed Prediction of Hardening in Ion-Irradiated Reactor Pressure Vessel Steels
Authors: Lai Libang , Brandenburg Jann-Erik , Chekhonin Paul , Duplessi Arnaud , Cuvilly Fabien , Etienne Auriane , Radiguet Bertrand , Rafaja David , Bergner Frank
Published: February 2024

Ion irradiation combined with nanoindentation is a promising tool for studying irradiation-induced hardening of nuclear materials, including reactor pressure vessel (RPV) steels. For RPV steels, the major sources of hardening are nm-sized irradiation-induced dislocation loops and solute atom clusters, both representing barriers for dislocation glide. The dispersed barrier hardening (DBH) model provides a link between the irradiation-induced nanofeatures and hardening. However, a number of details of the DBH model still require consideration. These include the role of the unirradiated microstructure, the proper treatment of the indentation size effect (ISE), and the appropriate superposition rule of individual hardening contributions. In the present study, two well-characterized RPV steels, each ion-irradiated up to two different levels of displacement damage, were investigated. Dislocation loops and solute atom clusters were characterized by transmission electron microscopy and atom probe tomography, respectively. Nanoindentation with a Berkovich indenter was used to measure indentation hardness as a function of the contact depth. In the present paper, the measured hardening profiles are compared with predictions based on different DBH models. Conclusions about the appropriate superposition rule and the consideration of the ISE (in terms of geometrically necessary dislocations) are drawn.
The Research Progress on the Interaction between Mammalian Gut Microbiota and the Host’s Metabolism Homeostasis during Hibernation
Authors: Zhang Zhepei , Song Fengcheng , Wang Linjuan , Yuan Zhengrong
Published: February 2024

Hibernating mammals confront seasonal and harsh environmental shifts, prompting a cycle of pre-hibernation feeding and subsequent winter fasting. These adaptive practices induce diverse physiological adjustments within the animal’s body. With the gut microbiota’s metabolic activity being heavily reliant on the host’s diet, this cycle’s primary impact is on this microbial community. When the structure and composition of the gut microbiota changes, corresponding alterations in the interactions occur between these microorganisms and their host. These successive adaptations significantly contribute to the host’s capacity to sustain relatively stable metabolic and immune functions in severe environmental conditions. A thorough investigation into the reciprocal interplay between the host and gut microbiota during hibernation-induced adaptive changes holds promise for unveiling new insights. Understanding the underlying mechanisms driving these interactions may potentially unlock innovative approaches to address extreme pathological conditions in humans.
Vine-Winery Byproducts as Precious Resource of Natural Antimicrobials: In Vitro Antibacterial and Antibiofilm Activity of Grape Pomace Extracts against Foodborne Pathogens
Authors: Sateriale Daniela , Forgione Giuseppina , Di Rosario Martina , Pagliuca Chiara , Colicchio Roberta , Salvatore Paola , Paolucci Marina , Pagliarulo Caterina
Published: February 2024

Grape pomace is the main by-product of vine-winery chains. It requires adequate treatment and disposal but is also an economically underused source of bioactive plant secondary metabolites. This study aimed to investigate the antibacterial effects of polyphenolic extracts from Aglianico (Vitis vinifera L.) grape pomace. In particular, hydroethanolic extracts obtained via an ultrasonic-assisted extraction technique were selected for antimicrobial tests. The extracts were screened for their antibacterial effects against foodborne pathogens that were both Gram-positive, in the case of Staphylococcus aureus and Bacillus cereus, and Gram-negative, in the case of Escherichia coli and Salmonella enterica subsp. enterica serovar Typhimurium, showing variable bacteriostatic and bactericidal effects. In addition, our results demonstrated that the tested grape pomace extracts can reduce the inhibitory concentration of standard antibiotics. Interestingly, selected extracts inhibited biofilm development by S. aureus and B. cereus. Overall, these new insights into the antibacterial properties of grape pomace extracts may represent a relevant step in the design of novel therapeutic tools to tackle foodborne diseases, and in the management of resistant biofilm-related infections.
Altered Plasma microRNA Signature in Hospitalized COVID-19 Patients Requiring Oxygen Support
Authors: Franco Sandra , Mateu Lourdes , Pluvinet Raquel , Sanchez-Herrero Jose Francisco , Toledo Ruth , Sumoy Lauro , Massanella Marta , Martinez Miguel Angel
Published: February 2024

To discover potential micro(mi)RNA biomarkers of SARS-CoV-2 infection and disease progression, large-scale deep-sequencing analysis of small RNA expression was performed on plasma samples from 40 patients hospitalized for SARS-CoV-2 infection (median 13.50 [IQR 9–24] days since symptoms initiation) and 21 healthy noninfected individuals. A total of 1218 different miRNAs were identified. When compared with healthy noninfected donors, SARS-CoV-2-infected patients showed significantly (fold change [FC] > 1.2 and adjusted p [padj] < 0.05) altered expression of 190 miRNAs. The top-10 differentially expressed (DE) miRNAs were miR-122-5p, let-7b-5p, miR-146a-5p, miR-342-3p, miR-146b-5p, miR-629-5p, miR-24-3p, miR-12136, let-7a-5p, and miR-191-5p, which displayed FC and padj values ranging from 153 to 5 and 2.51 × 10−32 to 2.21 × 10−21, respectively, which unequivocally diagnosed SARS-CoV-2 infection. No differences in blood cell counts and biochemical plasma parameters, including interleukin 6, ferritin, and D-dimer, were observed between COVID-19 patients on high-flow oxygen therapy, low-flow oxygen therapy, or not requiring oxygen therapy. Notably, 31 significantly deregulated miRNAs were found, when patients on high- and low-flow oxygen therapy were compared. SARS-CoV-2 infection generates a specific miRNA signature in hospitalized patients. Specific miRNA profiles are associated with COVID-19 prognosis in patients requiring oxygen flow.
SARS-CoV-2 Infection and Anemia—A Focus on RBC Deformability and Membrane Proteomics—Integrated Observational Prospective Study
Authors: D’Alessandro Angelo , Krisnevskaya Elena , Leguizamon Valentina , Hernández Ines , de la Torre Carolina , Bech Joan-Josep , Navarro Josep-Tomàs , Vives-Corrons Joan-Lluis
Published: February 2024

Introduction: The multifaceted impact of COVID-19 extends beyond the respiratory system, encompassing intricate interactions with various physiological systems. This study elucidates the potential association between SARS-CoV-2 infection and anemia, with a particular emphasis on the deformability of red blood cells (RBCs), stability of hemoglobin, enzymatic activities, and proteomic profiles. Methods: The study encompasses a cohort of 74 individuals, including individuals positive for COVID-19, a control group, and patients with other viral infections to discern the specific effects attributable to COVID-19. The analysis of red blood cells was focused on deformability measured by osmotic gradient ektacytometry, hemoglobin stability, and glycolytic enzyme activity. Furthermore, membrane proteins were examined using advanced proteomics techniques to capture molecular-level changes. Results: Findings from the study suggest a correlation between anemia and exacerbated outcomes in COVID-19 patients, marked by significant elevations in d-dimer, serum procalcitonin, creatinine, and blood urea nitrogen (BUN) levels. These observations suggest that chronic kidney disease (CKD) may play a role in the development of anemia in COVID-19 patients, particularly those of advanced age with comorbidities. Furthermore, the proteomic analyses have highlighted a complex relationship between omics data and RBC parameters, enriching our understanding of the mechanisms underlying the disease. Conclusions: This research substantiates the complex interrelationship between COVID-19 and anemia, with a specific emphasis on the potential repercussions of SARS-CoV-2 infection on RBCs. The findings contribute to the growing body of evidence supporting the extensive impact of COVID-19 on RBCs.
The Geochemical Characteristics of Trace Elements in the Magnetite and Fe Isotope Geochemistry of the Makeng Iron Deposit in Southwest Fujian and Their Significance in Ore Genesis
Authors: Yi Jinjun , Shi Xiaoxiao , Ji Genyuan , Zhang Lei , Wang Sen , Deng Huang
Published: February 2024

The Makeng iron deposit in southwest Fujian is a significant iron polymetallic deposit containing various types of iron ore, including garnet magnetite, diopside magnetite, and quartz magnetite. The metallogenetic type of the deposit has been a subject of debate, particularly in relation to the genesis of magnetite and the source of iron. In situ microanalysis of trace elements in magnetite from different ores shows relatively low levels of V, Ti, Cu, and Zn, with higher concentrations of Ca and Si, indicating the characteristics of a skarn type deposit. The δ57Fe values of the magnetite range from −0.091‰ to 0.317‰. Combining these data, whole-rock iron isotope analyses, including Juzhou and Dayang granites, diabase, and the Lower Carboniferous Lindi Formation sandstone, suggest that Fe in the magnetite primarily originates from granitic pluton, with potential contributions from diabase and the Lower Carboniferous Lindi Formation sandstone. Combined with field work, these results indicate that Makeng iron deposit is a skarn-type magnetite deposit associated with Yanshanian granitic intrusions. Therefore, the initial ore-forming fluid is postulated to be a high-temperature magmatic hydrothermal fluid with high oxygen fugacity. This fluid infiltrates spaces such as interlayer fracture zones between the Upper Carboniferous Jingshe Formation–Middle Permian Qixia Formation carbonate rocks and the Lower Carboniferous Lindi Formation sandstone, resulting in diverse magnetite ores due to metasomatism. The mineralization process of the Makeng iron deposit is basically the same, as it is composed of typical skarn deposits. Magnetite was mainly formed during calcic skarn formation stage, and this process persisted until the initial phase of the retrograde alteration of skarns. In contrast, sulfide minerals, including molybdenite, sphalerite, and galena, precipitated during the quartz–sulfide stage.
Hydrogen Chloride and Sulfur Dioxide Gas Evolutions from the Reaction between Mg Sulfate and NaCl: Implications for the Sample Analysis at the Mars Instrument in Gale Crater, Mars
Authors: Clark Joanna V. , Sutter Brad , McAdam Amy C. , Knudson Christine A. , Casbeer Patrick , Tu Valerie M. , Rampe Elizabeth B. , Ming Douglas W. , Archer Paul D. , Mahaffy Paul R. , Malespin Charles
Published: February 2024

The Sample Analysis at Mars-Evolved Gas Analyzer (SAM-EGA) on the Curiosity rover detected hydrogen chloride (HCl) and sulfur dioxide (SO2) gas evolutions above 600 °C and 700 °C, respectively, from several drilled rock and soil samples collected in Gale crater, which have been attributed to NaCl and Mg sulfates. Although NaCl and Mg sulfates do not evolve HCl or SO2 within the SAM temperature range (<~870 °C) when analyzed individually, they may evolve these gases at <870 °C and become detectable by SAM-EGA when mixed. This work aims to determine how Mg sulfate and NaCl interact during heating and how that affects evolved HCl and SO2 detection temperatures in SAM-EGA. Solid mixtures of NaCl and kieserite were analyzed using a thermogravimeter/differential scanning calorimeter furnace connected to a quadrupole mass spectrometer, configured to operate under similar conditions as SAM, and using X-ray diffraction of heated powders. NaCl analyzed individually did not evolve HCl; however, NaCl/kieserite mixtures evolved HCl releases with peaks above 600 °C. The results suggested that kieserite influenced HCl production from NaCl via two mechanisms: (1) kieserite depressed the melting point of NaCl, making it more reactive with evolved water; and (2) SO2 from kieserite decomposition reacted with NaCl and water (i.e., Hargreaves reaction). Additionally, NaCl catalyzed the thermal decomposition of kieserite, such that the evolved SO2 was within the SAM-EGA temperature range. The results demonstrated that SAM-EGA can detect chlorides and Mg sulfates when mixed due to interactions during heating. These phases can provide information on past climate and mineral formation conditions.
Analysis of Pigments Unearthed from the Yungang Grottoes Archaeological Excavations
Authors: Fan Xiao , Cui Jianfeng , Wang Shuyu , Tai Lizhong , Guo Jing , Yan Hongbin
Published: February 2024

The Yungang Grottoes, excavated during the 5th to 6th centuries AD, stand as a pinnacle of Buddhist sculpture, representing a precious world cultural heritage. Since their excavation, the grottoes have undergone multiple phases of painting, with a significant amount of pigment still present on the surfaces of the stone carvings. Since the 1990s, two large-scale archaeological excavations have been conducted on both the front ground and the summit of Yungang Grottoes. During these excavations, various artifacts with accompanying pigments were unearthed, encompassing stone carvings, grinding tools, architectural components, fragments of murals, and remnants of clay sculptures, spanning the historical periods of the Northern Wei, Liao-Jin, and Ming-Qing dynasties. Using portable X-ray fluorescence spectrometry, portable microscopy, polarizing microscopy, scanning electron microscopy–energy dispersive X-ray spectroscopy, and confocal Raman microscopy, we conducted a comprehensive analysis of these painted elements. The investigation revealed the presence of hematite, vermilion, goethite, malachite, calcium carbonate, lead white, and ivory black pigments in the Northern Wei samples. The Liao-Jin samples exhibited hematite, while the Ming-Qing samples contained vermilion, minium, atacamite, lead white, and Prussian blue.
Adsorptive Elimination of a Cationic Dye and a Hg (II)-Containing Antiseptic from Simulated Wastewater Using a Metal Organic Framework
Authors: Roy Nilanjan , Das Chanchal , Paul Mohuya , Im Jungkyun , Biswas Goutam
Published: February 2024

Several types of pollutants have acute adverse effects on living bodies, and the effective removal of these pollutants remains a challenge. Safranin O (a biological dye) and merbromin (a topical mercury-containing antiseptic) are considered organic pollutants, and there are only a few reports on their removal. Synthesized and well-characterized (through PXRD, FTIR, FESEM, and EDS analysis) MOF-5 was used for the first time in the removal of safranin O and merbromin from simulated wastewater and real wastewater. In both cases, MOF-5 effectively removed contaminants. We found that in simulated wastewater, the highest efficiency of removal of safranin O was 53.27% (for 15 mg/L) at pH 10, and for merbromin, it was 41.49% (for 25 mg/L) at pH 6. In the case of real wastewater containing natural ions (Na+, K+, F−, Cl−, SO42−, PO43−, Mg2+, and Ca2+) and other molecules, the removal efficiencies of these two dyes decreased (34.00% and 26.28% for safranin O and merbromin, respectively) because of the presence of other ions and molecules. A plausible mechanism for the removal of these pollutants using MOF-5 was proposed.
Purification, Characterization, cDNA Cloning, and Bioinformatic Analysis of Zinc-Binding Protein from Magallana hongkongensis
Authors: Chen Citing , Li Wan , Gao Jialong , Cao Wenhong , Qin Xiaoming , Zheng Huina , Lin Haisheng , Chen Zhongqin
Published: February 2024

Oysters contain significant amounts of the zinc element, which may also be found in their proteins. In this study, a novel zinc-binding protein was purified from the mantle of the oyster Magallana hongkongensis using two kinds of gel filtration chromatograms. Sodium dodecyl sulfate–polyacrylamide gel electrophoresis (SDS-PAGE) showed that its molecular weight was approximately 36 kDa. The protein identified by the Q-Exactive mass spectrometer shared the highest sequence identity with carbonic anhydrase derived from Crassostrea gigas concerning amino acid sequence similarity. Based on homologous cloning and RACE PCR, the full-length cDNA of carbonic anhydrase from Magallana hongkongensis (designated as MhCA) was cloned and sequenced. The cDNA of MhCA encodes a 315-amino-acid protein with 89.74% homology to carbonic anhydrase derived from Crassostrea gigas. Molecular docking revealed that the two zinc ions primarily form coordination bonds with histidine residues in the MhCA protein. These results strongly suggest that MhCA is a novel zinc-binding protein in Magallana hongkongensis.
Novel Antineoplastic Inducers of Mitochondrial Apoptosis in Human Cancer Cells
Authors: Kesel Andreas J.
Published: February 2024

I propose a new strategy to suppress human cancer completely with two entirely new drug compounds exploiting cancer’s Warburg effect characterized by a defective mitochondrial aerobic respiration, substituted by cytosolic aerobic fermentation/glycolysis of D-(+)-glucose into L-(+)-lactic acid. The two essentially new drugs, compound 1 [P(op)T(est)162] and compound 3 (PT167), represent new highly symmetric, four-bladed propeller-shaped polyammonium cations. The in vitro antineoplastic highly efficacious drug compound 3 represents a covalent combination of compound 1 and compound 2 (PT166). The intermediate drug compound 2 is an entirely new colchic(in)oid derivative synthesized from colchicine. Compound 2’s structure was determined using X-ray crystallography. Compound 1 and compound 3 were active in vitro versus 60 human cancer cell lines of the National Cancer Institute (NCI) Developmental Therapeutics Program (DTP) 60-cancer cell testing. Compound 1 and compound 3 not only stop the growth of cancer cells to ±0% (cancerostatic effect) but completely kill nearly all 60 cancer cells to a level of almost −100% (tumoricidal effect). Compound 1 and compound 3 induce mitochondrial apoptosis (under cytochrome c release) in all cancer cells tested by (re)activating (in most cancers impaired) p53 function, which results in a decrease in cancer’s dysregulated cyclin D1 and an induction of the cell cycle-halting cyclin-dependent kinase inhibitor p21Waf1/p21Cip1.
Study on the Effect of Cations on the Surface Energy of Nano-SiO2 Particles for Oil/Gas Exploration and Development Based on the Density Functional Theory
Authors: Ni Jun , Zhang Lei , Wang Chengjun , Wang Weibo , Jin Ge
Published: February 2024

Although nano SiO2 exhibits excellent application potential in the field of oil and gas exploration and development, such as drilling fluid, enhanced oil/gas recovery, etc., it is prone to agglomeration and loses its effectiveness due to the action of cations in saline environments of oil and gas reservoirs. Therefore, it is crucial to study the mechanism of the change in energy between nano SiO2 and cations for its industrial application. In this paper, the effect of cations (Na+, K+, Ca2+, and Mg2+) on the surface energy of nano SiO2 particles is investigated from the perspective of molecular motion and electronic change by density functional theory. The results are as follows: Due to the electrostatic interactions, cations can migrate towards the surface of nano SiO2 particles. During the migration process, monovalent cations are almost unaffected by water molecules, and they can be directly adsorbed on the surface by nano SiO2 particles. However, when divalent cations migrate from a distance to the surface of nano SiO2 particles, they can combine with water molecules to create an energy barrier, which can prevent them from moving forward. When divalent cations break through the energy barrier, the electronic kinetic energy between them and nano SiO2 particles changes more strongly, and the electrons carried by them are more likely to break through the edge of the atomic nucleus and undergo charge exchange with nano SiO2 particles. The change in interaction energy is more intense, which can further disrupt the configuration stability of nano SiO2. The interaction energy between cations and nano SiO2 particles mainly comes from electrostatic energy, followed by Van der Waals energy. From the degree of influence of four cations on nano SiO2 particles, the order from small to large is as follows: K+ < Na+ < Mg2+ < Ca2+. The research results can provide a theoretical understanding of the interaction between nano SiO2 particles and cations during the application of nano SiO2 in the field of oil and gas exploration and development.
Highly Efficient DSSCs Sensitized Using NIR Responsive Bacteriopheophytine-a and Its Derivatives Extracted from Rhodobacter Sphaeroides Photobacteria
Authors: Almansour Abdulrahman I. , Kumar Raju Suresh , Al-Shemaimari Khloud Ibrahim , Arumugam Natarajan
Published: February 2024

Employing naturally extracted dyes and their derivatives as photosensitizers towards the construction of dye-sensitized solar cells (DSSCs) has been recently emerging for establishing sustainable energy conversion devices. In this present work, Rhodobacter Sphaeroides Photobacteria (Rh. Sphaeroides) was used as a natural source from which Bacteriopheophytine-a (Bhcl) dye was extracted. Further, two cationic derivatives of Bhcl, viz., Guanidino-bacteriopheophorbide-a (Gua-Bhcl) and (2-aminoethyl)triphenylphosphono-bacteriopheophorbide-a (2AETPPh-Bhcl) were synthesized. The thus obtained Bhcl, Gua-Bhcl and 2AETPPh-Bhcl were characterized using liquid chromatography–mass spectrometry (LC–MS) and their photophysical properties were investigated using excitation and emission studies. All three near-infrared (NIR) responsive dyes were employed as natural sensitizers towards the construction of DSSC devices, using platinum as a photocathode, dye-sensitized P25-TiO2 as a photoanode and I−/I3− as an electrolyte. DSSCs fabricated using all three dyes have shown reasonably good photovoltaic performance, among which 2AETPPh-Bhcl dye has shown a relatively higher power conversion efficiency (η) of 0.38% with a short circuit photocurrent density (JSC) of 1.03 mA cm−2. This could be attributed to the dye’s natural optimal light absorption in the visible and NIR region and uniform dispersion through the electrostatic interaction of the cationic derivatives on the TiO2 photoanode. Furthermore, the atomic force microscopy studies and electrochemical investigations using cyclic voltammetry, electrochemical impedance spectroscopy and Bode’s plot also supported the enhancement in performance attained with 2AETPPh-Bhcl dye.
Adsorption Mechanisms of TM3 (TM = Mo, Ru, Au)-Decorated Tin Sulfide Monolayers for the Decomposition of Gas Components under Fault Conditions in Oil-Immersed Transformers
Authors: Li Min , Wang Bo , Ma Hengrui , Ma Fuqi , Wang Hongxia , Wang Xiao
Published: February 2024

Oil-immersed transformers play a pivotal role owing to their environmentally friendly characteristics, compact footprint, and cost-effectiveness. Ensuring the online monitoring of oil-immersed transformers is a fundamental measure to ensure the secure and stable operation of modern power systems. In this paper, metal particle cluster-doped SnS is firstly used in the adsorption and sensing of decomposition components (CO, C2H2) under fault conditions in oil-immersed transformers. The study comprehensively analyzed band structure, differential charge density, density of states, and molecular orbital theory to unveil the adsorption and sensing mechanisms of target gases. The findings suggest that the modification of metal particle clusters can enhance the surface electronic properties of single-layer SnS. In the regions of metal particle clusters and the gas–surface reaction area, electronic activity is significantly heightened, primarily attributed to the contribution of d-orbital electrons of the metal cluster structures. The modified SnS exhibits adsorption capacity in the following order: Ru3-SnS > Mo3-SnS > Au3-SnS. Additionally, the modified material demonstrates increased competitiveness for C2H2, with adsorption types falling under physical chemistry adsorption. Different metal elements exert diverse effects on the electronic distribution of the entire system, providing a theoretical foundation for the preparation of corresponding sensors. The findings in this work offer numerical insights for the further preparation and development of SnS nanosensors, concurrently shedding light on the online monitoring of faults in oil-immersed transformers.
Atractylenolide II Suppresses Glycolysis and Induces Apoptosis by Blocking the PADI3-ERK Signaling Pathway in Endometrial Cancer Cells
Authors: Tian Shuang , Ren Lili , Liu Chao , Wang Zhe
Published: February 2024

Atractylenolide II (AT-II), the major bioactive compound of Atractylodes macrocephala, exhibits anti-cancer activity against many types of tumors, but the roles and the potential mechanisms in endometrial cancer remain unclear. In the present study, AT-II treatment was found to significantly suppress RL95-2 and AN3CA cell proliferation and glycolysis, and induced their apoptosis by inactivating the ERK signaling pathway, accompanied by the changing expression of the glycolytic key enzymes and apoptotic-related proteins. Peptidyl arginine deiminase 3 (PADI3), as the candidate target gene of AT-II, was highly expressed in the endometrial cancer tissues and associated with a poor prognosis according to bioinformatics analysis. PADI3 knockdown inhibited proliferation and glycolysis in endometrial cancer cells and induced cell apoptosis. Furthermore, AT-II negatively regulated the expression of PADI3, and PADI3 overexpression reversed the effects of AT-II on endometrial cancer cells. Our findings suggested that the anti-cancer function of AT-II is associated with the suppression of glycolysis and induction of apoptosis by blocking the PADI3-ERK signaling pathway. Thus, AT-II represents a novel therapeutic target for endometrial cancer and targeting AT-II may serve as a potential strategy for the clinical therapy of endometrial cancer.
Chemotherapeutic Activities of New η6-p-Cymene Ruthenium(II) and Osmium(II) Complexes with Chelating SS and Tridentate SNS Ligands
Authors: Ywaya David O. , Ibrahim Halliru , Friedrich Holger B. , Bala Muhammad D. , Soobramoney Lynette , Daniels Aliscia , Singh Moganavelli
Published: February 2024

A series of new chelating bidentate (SS) alkylimidazole-2-thione-Ru(II)/Os(II) complexes (3ai, 3aii, 3aiii, 3bii/4aiii, 4bi, 4bii), and the tridentate (SNS) pyridine-2,6-diylimidazole-2-thione-Ru(II)/Os(II) complexes (5bi, 5civ/6bi, 6ci, 6civ) in the forms [MII(cym)(L)Cl]PF6 and [MII(cym)(L)]PF6 (M = Ru or Os, cym = η6-p-cymene, and L = heterocyclic derivatives of thiourea) respectively, were successfully synthesized. Spectroscopic and analytical methods were used to characterize the complexes and their ligands. Solid-state single-crystal X-ray diffraction analyses revealed a “piano-stool” geometry around the Ru(II) or Os(II) centers in the respective complexes. The complexes were investigated for in vitro chemotherapeutic activities against human cervical carcinoma (HeLa) and the non-cancerous cell line (Hek293) using the MTT assay. The compounds 3aii, 5civ, 5bi, 4aiii, 6ci, 6civ, and the reference drug, 5-fluorouracil were found to be selective toward the tumor cells; the compounds 3ai, 3aiii, 3bii, 4bi, 4bii, and 6bi, which were found not to be selective between normal and tumor cell lines. The IC50 value of the tridentate half-sandwich complex 5bi (86 ± 9 μM) showed comparable anti-proliferative activity with the referenced commercial anti-cancer drug, 5-fluorouracil (87 ± 15 μM). The pincer (SNS) osmium complexes 6ci (36 ± 10 μM) and 6civ (40 ± 4 μM) were twice as effective as the reference drug 5-fluorouracil at the respective dose concentrations. However, the analogous pincer (SNS) ruthenium complex 5civ was ineffective and did not show anti-proliferative activity, even at a higher concentration of 147 ± 1 μM. These findings imply that the higher stability of the chelating (SS) and the pincer (SNS) ligand architectures in the complexes improves the biological (anti-proliferative) activity of the complexes by reducing the chance of ligand dissociation under physiological conditions. In general, the pincer (SNS) osmium complexes were found to be more cytotoxic than their ruthenium analogues, suggesting that the anti-proliferative activity of the imidazole-2-thione-Ru/Os complexes depends on the ligand’s spatial coordination, the nature of the metal center, and the charge of the metal complex ions.
Intensive Treatment of Organic Wastewater by Three-Dimensional Electrode System within Mn-Loaded Steel Slag as Catalytic Particle Electrodes
Authors: Ren Xu , Fu Haifeng , Peng Danni , Shen Meng , Tang Peixin , Song Kai , Lai Bo , Pan Zhicheng
Published: February 2024

Developing a green, low-carbon, and circular economic system is the key to achieving carbon neutrality. This study investigated the organics removal efficiency in a three-dimensional electrode reactor (3DER) constructed from repurposed industrial solid waste, i.e., Mn-loaded steel slag, as the catalytic particle electrodes (CPE). The CPE, a micron-grade material consisting primarily of transition metals, including Fe and Mn, exhibited excellent electric conductivity, catalytic ability, and recyclability. High rhodamine B (RhB) removal efficiency in the 3DER was observed through a physical modelling experiment. The optimal operating condition was determined through a single-factor experiment in which 5.0 g·L−1 CPE and 3 mM peroxymonosulfate (PMS) were added to a 200 mL solution of 10 mM RhB under a current intensity of 0.5 A and a 1.5 to 2.0 cm distance between the 2D electrodes. When the initial pH value of the simulated solution was 3 to 9, the RhB removal rate exceeded 96% after 20 min reaction. In addition, the main reactive oxidation species in the 3DER were determined. The results illustrated that HO• and SO4•− both existed, but that the contribution of SO4•− to RhB removal was much lower than that of HO• in the 3DER. In summary, this research provides information on the potential of the 3DER for removing refractory organics from water.
Oxidative Stress and Acrosomal Status of Human Spermatozoa Subjected to Hydrophobic Carbon Soot Treatments
Authors: Esmeryan Karekin D. , Rangelov Ivaylo , Chaushev Todor A.
Published: February 2024

The fourth industrial revolution extensively reshapes the reality we are living in by blurring the boundaries of physical, digital and biological worlds. A good example is the previously unthinkable incursion of nanoscale waste materials, such as soot, into the technologies for assisted reproduction. Although the rapeseed oil soot may efficiently enhance the progressive motility of human spermatozoa, it is yet unknown whether this material induces undesirable oxidative stress and premature acrosome reaction, endangering the sperm-oocyte fusion and blastocyst formation. In an attempt to clarify this issue, we reveal that the three-hour incubation of human semen mixed with three main types of soot does not cause oxidative stress and spontaneous acrosome reaction of the sperm. These unique findings are attributed to synchronous elimination and stabilization of the oxidants via hydrogen bonding to the acidic groups of the soot (i.e., C=O and/or C-O-C) and electron donation by its basic chemical sites (i.e., C-OH and/or COOH). Moreover, the soot nanoparticles are electrostatically attracted by discrete positively charged areas on the sperm head, increasing its negative charge and in some cases interfering the acrosome reaction. Such novel mechanistic insights emphasize the credibility of rapeseed oil soot to confidently shift from the purely diagnostic and therapeutic phases in reproductive medicine to research dealing with the effect of carbon nanomaterials on the embryo development and implantation.
Geometrical Stabilities and Electronic Structures of Ru3 Clusters on Rutile TiO2 for Green Hydrogen Production
Authors: Alotaibi Moteb
Published: February 2024

In response to the vital requirement for renewable energy alternatives, this research delves into the complex interactions between ruthenium (Ru3) clusters and rutile titanium dioxide (TiO2) (110) interfaces, with the aim of enhancing photocatalytic water splitting processes to produce environmentally friendly hydrogen. As the world shifts away from traditional fossil fuels, this study utilizes the density functional theory (DFT) and the HSE06 hybrid functional to thoroughly assess the geometric and electronic properties of Ru3 clusters on rutile TiO2 (110) surfaces. Given TiO2’s renown role as a photocatalyst and its limitations in visible light absorption, this research investigates the potential of metals like Ru to serve as additional catalysts. The results indicate that the triangular Ru3 cluster exhibits exceptional stability and charge transfer effectiveness when loaded on rutile TiO2 (110). Under ideal adsorption scenarios, the cluster undergoes oxidation, leading to subsequent changes in the electronic configuration of TiO2. Further exploration into TiO2 surfaces with defects shows that Ru3 clusters influence the creation of oxygen vacancies, resulting in a greater stabilization of TiO2 and an increase in the energy required for creating oxygen vacancies. Moreover, the attachment of the Ru3 cluster and the creation of oxygen vacancies lead to the emergence of polaronic and hybrid states centered on specific titanium atoms. These states are vital for enhancing the photocatalytic performance of the material within the visible light spectrum. This DFT study provides essential insights into the role of Ru3 clusters as potential supplementary catalysts in TiO2-based photocatalytic systems, setting the stage for practical experiments and the development of highly efficient photocatalysts for sustainable hydrogen generation. The observed effects on electronic structures and oxygen vacancy generation underscore the intricate relationship between Ru3 clusters and TiO2 interfaces, offering a valuable direction for future research in the pursuit of clean and sustainable energy solutions.
Superprotonic Conductivity in a Metalloporphyrin-Based SMOF (Supramolecular Metal–Organic Framework)
Authors: Fidalgo-Marijuan Arkaitz , Ruiz de Larramendi Idoia , Barandika Gotzone
Published: February 2024

Metal–organic frameworks and supramolecular metal–organic frameworks (SMOFs) exhibit great potential for a broad range of applications taking advantage of the high surface area and pore sizes and tunable chemistry. In particular, metalloporphyrin-based MOFs and SMOFs are becoming of great importance in many fields due to the bioessential functions of these macrocycles that are being mimicked. On the other hand, during the last years, proton-conducting materials have aroused much interest, and those presenting high conductivity values are potential candidates to play a key role in some solid-state electrochemical devices such as batteries and fuel cells. In this way, using metalloporphyrins as building units we have obtained a new crystalline material with formula [H(bipy)]2[(MnTPPS)(H2O)2]·2bipy·14H2O, where bipy is 4,4′-bipyidine and TPPS4− is the meso-tetra(4-sulfonatephenyl) porphyrin. The crystal structure shows a zig-zag water chain along the [100] direction located between the sulfonate groups of the porphyrin. Taking into account those structural features, the compound was tested for proton conduction by complex electrochemical impedance spectroscopy (EIS). The as-obtained conductivity is 1 × 10−2 S·cm−1 at 40 °C and 98% relative humidity, which is a remarkably high value.
Origin of Multiferroism in VOX2 (X = Cl, Br, I) Monolayers
Authors: Apostolov Angel Todorov , Apostolova Iliana Naumova , Wesselinowa Julia Mihailova
Published: February 2024

Based on the proposed microscopic model, we investigate the multiferroic characteristics of VOX2 (X = Cl, Br, I) monolayers using a Green’s function method. The dependence of the microscopic parameters of the ferroelectric system (pseudo-spin arrangement and flipping rate) on the magnitude and sign of the exchange magnetic interaction along the b-axis and the value of the Dzyaloshinskii–Moria vector have been investigated and qualitatively explained. The possibility of observing a spin-reorientation transition with a change in the character of spin ordering from antiferromagnetic to ferromagnetic is investigated. It is found that the antisymmetric magnetoelectric interaction may be responsible for the spin-reorientation transition without a change in the ordering of magnetic moments. Changing the sign of the exchange magnetic interaction along the b-axis leads to ferromagnetic ordering without observing a spin-reorientation transition. The dependence of isotropic and antisymmetric magnetic interactions on the microscopic parameters of the ferroelectric system is qualitatively explained. A mechanism for the occurrence of the spin-reorientation transition is presented based on the proposed microscopic model. The obtained results qualitatively coincide with Density Functional Theory calculations.