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Annual Report 2022
released!
 
Review
C- and N-Phosphorylated Enamines—An Avenue to Heterocycles: NMR Spectroscopy
Int. J. Mol. Sci. 2023, 24(11), 9646; https://doi.org/10.3390/ijms24119646 (registering DOI) - 01 Jun 2023
Abstract
The review presents extensive data (from the works of the author and literature) on the structure of C- and N-chlorophosphorylated enamines and the related heterocycles obtained by multipulse multinuclear 1H, 13C, and 31P NMR spectroscopy. The use of [...] Read more.
The review presents extensive data (from the works of the author and literature) on the structure of C- and N-chlorophosphorylated enamines and the related heterocycles obtained by multipulse multinuclear 1H, 13C, and 31P NMR spectroscopy. The use of phosphorus pentachloride as a phosphorylating agent for functional enamines enables the synthesis of various C- and N-phosphorylated products that are heterocyclized to form various promising nitrogen- and phosphorus-containing heterocyclic systems. 31P NMR spectroscopy is the most convenient, reliable and unambiguous method for the study and identification of organophosphorus compounds with different coordination numbers of the phosphorus atom, as well as for the determination of their Z- and E-isomeric forms. An alteration of the coordination number of the phosphorus atom in the phosphorylated compounds from 3 to 6 leads to a drastic screening of the 31P nucleus from about +200 to −300 ppm. The unique structural features of nitrogen–phosphorus-containing heterocyclic compounds are discussed. Full article
(This article belongs to the Special Issue NMR Spectroscopy in Materials Chemistry)
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Article
Leading Role of Big Data Analytic Capability in Innovation Performance: Role of Organizational Readiness and Digital Orientation
Systems 2023, 11(6), 284; https://doi.org/10.3390/systems11060284 (registering DOI) - 01 Jun 2023
Abstract
The advancement of technology offers various opportunities for business organizations to achieve sustainable growth. Through emerging technologies, business organizations are able to collect and analyze essential information vital for the acceleration of innovation. Therefore, this study investigated how big data contribute to the [...] Read more.
The advancement of technology offers various opportunities for business organizations to achieve sustainable growth. Through emerging technologies, business organizations are able to collect and analyze essential information vital for the acceleration of innovation. Therefore, this study investigated how big data contribute to the innovation activities of manufacturing entrepreneurs in terms of big data analytic capability (BDAC). The aim of this study was to relate BDAC to organizational readiness and innovation performance (IP). Moreover, we examined the mediating role of organizational readiness between BDAC and IP. We also examined the strengthening role of digital orientation. To collect the study data, we approached 494 frontline managers of the manufacturing sector of Saudi Arabia. The collected data were analyzed using statistical techniques such as descriptive, correlation, and hierarchical regression techniques. We found that BDAC plays a vital role in developing organizational readiness and IP. The findings also proved that organizational readiness has a significant effect on IP. The results revealed that organizational readiness mediates between BDAC and IP. Full article
Article
Investigation of the Effect of Twelve Pharmaceuticals on Germination and Growth Parameters of Basil (Ocimum basilicum L.)
Appl. Sci. 2023, 13(11), 6759; https://doi.org/10.3390/app13116759 (registering DOI) - 01 Jun 2023
Abstract
Pharmaceuticals (PhACs) are chemical substances that, after their use, can reach wastewater treatment plants, but the resulting treated wastewater (TWW) can still contain these contaminants. If TWWs are used for irrigation, PhACs can contaminate crops and also hinder their growth. The aim of [...] Read more.
Pharmaceuticals (PhACs) are chemical substances that, after their use, can reach wastewater treatment plants, but the resulting treated wastewater (TWW) can still contain these contaminants. If TWWs are used for irrigation, PhACs can contaminate crops and also hinder their growth. The aim of this work was to evaluate the effects of 12 PhACs and their mixture at different doses on basil germination and early growth and on its photosynthetic pigment content. The germination percentage was not affected by PhACs even when applied at the highest doses. The results showed that the germination speed cannot be considered as an index of vigor of future seedlings as not all seeds that germinated first developed the best. PhACs between 25 and 100 ppb did not show negative effects on early growth and photosynthetic pigments of basil; in fact, in some cases the seeds even benefitted from their application as if it were a chemical treatment developed for the seeds. The highest assessed dose of PhACs always caused a reduction in growth parameters and the photosynthetic pigment content of basil, especially with climbazole, naproxen, triclosan, and the mixture of PhACs. In general, basil can be considered a species tolerant to PhACs after taking into account their average content in wastewater; however, more studies are needed to evaluate the long-term effects of PhACs and their translocation to edible parts. Full article
(This article belongs to the Special Issue Emerging Contaminants in Environment)
Review
Current Surgical Techniques in the Treatment of Adult Developmental Dysplasia of the Hip
J. Pers. Med. 2023, 13(6), 942; https://doi.org/10.3390/jpm13060942 (registering DOI) - 01 Jun 2023
Abstract
The surgical protocols currently used for the treatment of developmental dysplasia of the hip (DDH) are varied, with sufficient differences in clinical outcomes that warrant a review of the role of practicing orthopedic surgeons. This paper aims to summarize the current novel techniques [...] Read more.
The surgical protocols currently used for the treatment of developmental dysplasia of the hip (DDH) are varied, with sufficient differences in clinical outcomes that warrant a review of the role of practicing orthopedic surgeons. This paper aims to summarize the current novel techniques within the realm of surgical treatment for adult DDH, thus serving as a guide to surgeons looking to quickly familiarize themselves with available techniques. We performed computer systematic literature searches of the Embase and PubMed databases from 2010 to 2 April 2022. Study parameters as well as their respective patient reported outcomes (PROMs) were described in detail and compiled into diagrams. Two novel techniques were identified for the treatment of borderline or low-grade DDH. Six techniques which included modifications to the Bernese periacetabular osteotomy (PAO) were identified for the treatment of symptomatic DDH. Three techniques which include combinations of arthroscopy and osteotomy were identified for the treatment of DDH with concomitant hip pathologies such as cam deformities. Finally, six techniques, all of which are modifications to total hip arthroplasty (THA), were identified for the treatment of high-grade DDH. The techniques detailed in this review therefore equip surgeons with the necessary knowledge to improve outcomes in patients with varying degrees of DDH. Full article
(This article belongs to the Special Issue Cutting-Edge in Arthroplasty: Before, While and after Surgery)
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Article
The Detrimental Effects of Peripartum Antibiotics on Gut Proliferation and Formula Feeding Injury in Neonatal Mice Are Alleviated with Lactobacillus rhamnosus GG
Microorganisms 2023, 11(6), 1482; https://doi.org/10.3390/microorganisms11061482 (registering DOI) - 01 Jun 2023
Abstract
Peripartum antibiotics can negatively impact the developing gut microbiome and are associated with necrotizing enterocolitis (NEC). The mechanisms by which peripartum antibiotics increase the risk of NEC and strategies that can help mitigate this risk remain poorly understood. In this study, we determined [...] Read more.
Peripartum antibiotics can negatively impact the developing gut microbiome and are associated with necrotizing enterocolitis (NEC). The mechanisms by which peripartum antibiotics increase the risk of NEC and strategies that can help mitigate this risk remain poorly understood. In this study, we determined mechanisms by which peripartum antibiotics increase neonatal gut injury and evaluated whether probiotics protect against gut injury potentiated by peripartum antibiotics. To accomplish this objective, we administered broad-spectrum antibiotics or sterile water to pregnant C57BL6 mice and induced neonatal gut injury to their pups with formula feeding. We found that pups exposed to antibiotics had reduced villus height, crypt depth, and intestinal olfactomedin 4 and proliferating cell nuclear antigen compared to the controls, indicating that peripartum antibiotics impaired intestinal proliferation. When formula feeding was used to induce NEC-like injury, more severe intestinal injury and apoptosis were observed in the pups exposed to antibiotics compared to the controls. Supplementation with the probiotic Lactobacillus rhamnosus GG (LGG) reduced the severity of formula-induced gut injury potentiated by antibiotics. Increased intestinal proliferating cell nuclear antigen and activation of the Gpr81-Wnt pathway were noted in the pups supplemented with LGG, suggesting partial restoration of intestinal proliferation by probiotics. We conclude that peripartum antibiotics potentiate neonatal gut injury by inhibiting intestinal proliferation. LGG supplementation decreases gut injury by activating the Gpr81-Wnt pathway and restoring intestinal proliferation impaired by peripartum antibiotics. Our results suggest that postnatal probiotics may be effective in mitigating the increased risk of NEC associated with peripartum antibiotic exposure in preterm infants. Full article
Article
Understanding Travel Behavior of Electric Car-Sharing Users under Impact of COVID-19
World Electr. Veh. J. 2023, 14(6), 144; https://doi.org/10.3390/wevj14060144 (registering DOI) - 01 Jun 2023
Abstract
The outbreak of the COVID-19 pandemic has raised concerns about the use of public transport, with a surge in people considering personal car usage. However, owning private cars is costly and wasteful of resources. Electric car-sharing (ECS) is considered a safer and more [...] Read more.
The outbreak of the COVID-19 pandemic has raised concerns about the use of public transport, with a surge in people considering personal car usage. However, owning private cars is costly and wasteful of resources. Electric car-sharing (ECS) is considered a safer and more private mode of transportation compared with public transportation. The COVID-19 pandemic has affected transport on transportation policies and travel willingness. What is the effect of the COVID-19 pandemic on CS travel, especially considering the safety issues during the COVID-19 pandemic? This study analyses the differences in the travel characteristics of private car owners and nonowners while using CS under the influence of the COVID-19 pandemic. Quantitative analysis during four months before and four months after the outbreak of the COVID-19 pandemic is conducted based on CS order data in Lanzhou, China. It was found that the number of CS orders fell by 55.8% during the COVID-19 pandemic. Travel behavior during the pandemic is different from that before the outbreak of the pandemic. Additionally, both private car owners and nonowners use CS while having differences in travel characteristics. Based on the results, business suggestions are introduced on the distribution of vehicles to help improve the profit of CS operators. Full article
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Article
Detection of Multiple Respiration Patterns Based on 1D SNN from Continuous Human Breathing Signals and the Range Classification Method for Each Respiration Pattern
Sensors 2023, 23(11), 5275; https://doi.org/10.3390/s23115275 (registering DOI) - 01 Jun 2023
Abstract
Human respiratory information is being used as an important source of biometric information that can enable the analysis of health status in the healthcare domain. The analysis of the frequency or duration of a specific respiration pattern and the classification of respiration patterns [...] Read more.
Human respiratory information is being used as an important source of biometric information that can enable the analysis of health status in the healthcare domain. The analysis of the frequency or duration of a specific respiration pattern and the classification of respiration patterns in the corresponding section for a certain period of time are important for the utilization of respiratory information in various ways. Existing methods require window slide processing to classify sections for each respiration pattern from the breathing data for a certain time period. In this case, when multiple respiration patterns exist within one window, the recognition rate can be lowered. To solve this problem, a 1D Siamese neural network (SNN)-based human respiration pattern detection model and a merge-and-split algorithm for the classification of multiple respiration patterns in each region for all respiration sections are proposed in this study. When calculating the accuracy based on intersection over union (IOU) for the respiration range classification result for each pattern, the accuracy was found to be improved by approximately 19.3% compared with the existing deep neural network (DNN) and 12.4% compared with a 1D convolutional neural network (CNN). The accuracy of detection based on the simple respiration pattern was approximately 14.5% higher than that of the DNN and 5.3% higher than that of the 1D CNN. Full article
(This article belongs to the Section Biosensors)
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Article
Assessing the Rural–Urban Transition of China during 1980–2020 from a Coordination Perspective
Land 2023, 12(6), 1175; https://doi.org/10.3390/land12061175 (registering DOI) - 01 Jun 2023
Abstract
Under the context of global rapid urbanization, exploring the dynamics of rural–urban transition in China can provide valuable experience for the Global South. In this study, we evaluate the rural–urban transition in China, from 1980 to 2020, based on socioeconomic data and a [...] Read more.
Under the context of global rapid urbanization, exploring the dynamics of rural–urban transition in China can provide valuable experience for the Global South. In this study, we evaluate the rural–urban transition in China, from 1980 to 2020, based on socioeconomic data and a rural–urban transition coordination model by constructing a rural–urban development and integration index system. We identify the state and transition types, and we present optimization paths. The results show that, since the reform and opening-up, the rural–urban development index (URDI) in China has gradually expanded among regions while the rural–urban integrated index (URII) has experienced a trend of decline followed by an increase. Over the past 40 years, the spatial distribution characteristics of the ΔURDI have been “south high–north low”, while the ΔURII has had a balanced spatial distribution. Over the first two decades of the past 40 years, the rural–urban transition in eastern coastal China was more coordinated, while regions with less coordination showed a two-tiered distribution pattern; over the last two decades, the coordination degree has increased. Over the past 40 years, the spatial distribution of high coordination presents “T-shaped” coastal and riverside characteristics. The transition types and coupling relationships of state regions are identified. Finally, optimization pathways are proposed for each type to further promote rural–urban integration. Full article
(This article belongs to the Special Issue Rethinking the Man-Land Relations in China)
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Article
Hot Corrosion Behavior of Co–Al–W Superalloys with Si Additions
Coatings 2023, 13(6), 1031; https://doi.org/10.3390/coatings13061031 (registering DOI) - 01 Jun 2023
Abstract
The hot corrosion behavior of Co-9Al-9.5W-xSi (where x = 0%, 0.1%, 0.5%, at.%) alloys in a salt mixture at 900 °C was investigated. The effect of Si on hot corrosion resistance was examined using corrosion kinetics. The surface morphology of the corrosion products [...] Read more.
The hot corrosion behavior of Co-9Al-9.5W-xSi (where x = 0%, 0.1%, 0.5%, at.%) alloys in a salt mixture at 900 °C was investigated. The effect of Si on hot corrosion resistance was examined using corrosion kinetics. The surface morphology of the corrosion products was explored via SEM with EDS and the phase constituents were examined using XRD. The results revealed that hot corrosion occurred as a combination of both sulfidation and oxidation behavior. With the increase in Si content, the hot corrosion resistance of the alloy was capable of remarkable advancement. Corrosion scales on the three Co-based alloys were mostly comprised of Co3O4, CoO, CoAl2O4, CoWO4, and Al2O3. The hot corrosion mechanism for the Co-based alloy in the presence of 75 wt.% Na2SO4 and 25 wt.% NaCl deposits were analyzed. Full article
(This article belongs to the Topic Properties of the Corroding Interface)
Article
Early Pleistocene River-Fed Paleocoast in Western Umbria (Central Italy): Facies Analysis and Coastal Models
Geosciences 2023, 13(6), 163; https://doi.org/10.3390/geosciences13060163 (registering DOI) - 01 Jun 2023
Abstract
Pliocene (?)—early Pleistocene shallow marine deposits, varying from gravel to sand to clay, characterize the southernmost sector of the Valdichiana Basin, between Orte and Città della Pieve, across Tuscany, Umbria and Latium (Central Italy). Facies associations, referring to the evolution of a river-fed [...] Read more.
Pliocene (?)—early Pleistocene shallow marine deposits, varying from gravel to sand to clay, characterize the southernmost sector of the Valdichiana Basin, between Orte and Città della Pieve, across Tuscany, Umbria and Latium (Central Italy). Facies associations, referring to the evolution of a river-fed coast, with a sensible facies heteropy, and a sub-environment articulation, both across and alongshore, have been recently described. Although the main part of the territory responds to a wave-dominated coastal model, a clear fluvial sediment origin and the presence of localized river mouths have also been documented. Nearshore is mainly represented by interbedded sand and gravel beachface to upper shoreface deposits, in which both a mouth bar organization and a lateral distribution of gravel beaches are recognizable. Sediment origins largely depend ondebris flow processes, related to small alluvial fans/fan deltas. In constrained areas, debris flow and current continental deposits occur, referring to coalescent alluvial fans, organized as a smoothly seaward-dipping piedmont band, drained by shallow braided channels. This roughly organized fluvial system feeds a coastal area, with a fandeltabuild-up. The as-described fan delta and beach systems are characterized by a smooth seaward morphology, according to models resembling, on a coast-transverse profile, the shelf-type fan delta. Although the proposed models differ from each other’s, with respect tothe shelf-type one, this is mainly on a lateral facies distribution. Full article
(This article belongs to the Special Issue Quaternary Coastal Paleoenvironments)
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Review
Pro- and Anti-Inflammatory Prostaglandins and Cytokines in Humans: A Mini Review
Int. J. Mol. Sci. 2023, 24(11), 9647; https://doi.org/10.3390/ijms24119647 (registering DOI) - 01 Jun 2023
Abstract
Inflammation has been described for two millennia, but cellular aspects and the paradigm involving different mediators have been identified in the recent century. Two main groups of molecules, the prostaglandins (PG) and the cytokines, have been discovered and play a major role in [...] Read more.
Inflammation has been described for two millennia, but cellular aspects and the paradigm involving different mediators have been identified in the recent century. Two main groups of molecules, the prostaglandins (PG) and the cytokines, have been discovered and play a major role in inflammatory processes. The activation of prostaglandins PGE2, PGD2 and PGI2 results in prominent symptoms during cardiovascular and rheumatoid diseases. The balance between pro- and anti-inflammatory compounds is nowadays a challenge for more targeted therapeutic approaches. The first cytokine was described more than a century ago and is now a part of different families of cytokines (38 interleukins), including the IL-1 and IL-6 families and TNF and TGFβ families. Cytokines can perform a dual role, being growth promotors or inhibitors and having pro- and anti-inflammatory properties. The complex interactions between cytokines, vascular cells and immune cells are responsible for dramatic conditions and lead to the concept of cytokine storm observed during sepsis, multi-organ failure and, recently, in some cases of COVID-19 infection. Cytokines such as interferon and hematopoietic growth factor have been used as therapy. Alternatively, the inhibition of cytokine functions has been largely developed using anti-interleukin or anti-TNF monoclonal antibodies in the treatment of sepsis or chronic inflammation. Full article
(This article belongs to the Special Issue Cytokines: From Cancer to Autoimmunity)
Review
The Potential of Natural Oils to Improve Inflammatory Bowel Disease
Nutrients 2023, 15(11), 2606; https://doi.org/10.3390/nu15112606 (registering DOI) - 01 Jun 2023
Abstract
Inflammatory bowel disease (IBD) is a chronic intestinal inflammatory disorder that includes ulcerative colitis (UC) and Crohn’s disease (CD), the exact cause of which is still unknown. Numerous studies have confirmed that diet is one of the major environmental factors associated with IBD, [...] Read more.
Inflammatory bowel disease (IBD) is a chronic intestinal inflammatory disorder that includes ulcerative colitis (UC) and Crohn’s disease (CD), the exact cause of which is still unknown. Numerous studies have confirmed that diet is one of the major environmental factors associated with IBD, as it can regulate the gut microbiota and reduce inflammation and oxidative stress. Since the consumption of oil is essential in the diet, improving IBD through oil has potential. In this article, we first briefly reviewed the current treatment methods for IBD and introduce the role of natural oils in improving inflammatory diseases. We then focused on the recent discovery of the role of natural oils in the prevention and treatment of IBD and summarized their main mechanisms of action. The results showed that the anti-inflammatory activity of oils derived from different plants and animals has been validated in various experimental animal models. These oils are capable of improving the intestinal homeostasis in IBD animal models through multiple mechanisms, including modulation of the gut microbiota, protection of the intestinal barrier, reduction in colonic inflammation, improvement in oxidative stress levels in the intestine, and regulation of immune homeostasis. Therefore, dietary or topical use of natural oils may have potential therapeutic effects on IBD. However, currently, only a few clinical trials support the aforementioned conclusions. This review emphasized the positive effects of natural oils on IBD and encouraged more clinical trials to provide more reliable evidence on the improvement of human IBD by natural oils as functional substances. Full article
(This article belongs to the Special Issue The Effects of Dietary Lipids on Inflammation and Gut Microbiota)
Article
Electronic Patient-Reported Outcome Measures (ePROMs) Improve the Assessment of Underrated Physical and Psychological Symptom Burden among Oncological Inpatients
Cancers 2023, 15(11), 3029; https://doi.org/10.3390/cancers15113029 (registering DOI) - 01 Jun 2023
Abstract
For advanced cancer inpatients, the established standard for gathering information about symptom burden involves a daily assessment by nursing staff using validated assessments. In contrast, a systematic assessment of patient-reported outcome measures (PROMs) is required, but it is not yet systematically implemented. We [...] Read more.
For advanced cancer inpatients, the established standard for gathering information about symptom burden involves a daily assessment by nursing staff using validated assessments. In contrast, a systematic assessment of patient-reported outcome measures (PROMs) is required, but it is not yet systematically implemented. We hypothesized that current practice results in underrating the severity of patients’ symptom burden. To explore this hypothesis, we have established systematic electronic PROMs (ePROMs) using validated instruments at a major German Comprehensive Cancer Center. In this retrospective, non-interventional study, lasting from September 2021 to February 2022, we analyzed collected data from 230 inpatients. Symptom burden obtained by nursing staff was compared to the data acquired by ePROMs. Differences were detected by performing descriptive analyses, Chi-Square tests, Fisher’s exact, Phi-correlation, Wilcoxon tests, and Cohen’s r. Our analyses pointed out that pain and anxiety especially were significantly underrated by nursing staff. Nursing staff ranked these symptoms as non-existent, whereas patients stated at least mild symptom burden (pain: meanNRS/epaAC = 0 (no); meanePROM = 1 (mild); p < 0.05; r = 0.46; anxiety: meanepaAC = 0 (no); meanePROM = 1 (mild); p < 0.05; r = 0.48). In conclusion, supplementing routine symptom assessment used daily by nursing staff with the systematic, e-health-enabled acquisition of PROMs may improve the quality of supportive and palliative care. Full article
(This article belongs to the Special Issue Palliative Care in Cancer: Recent Advances and Upcoming Trends)
Editorial
More Children Means More Tumours? We Can Do More to Protect the Health of Our Kids—A Call for a New Epidemiology That Can Change the World
Epidemiologia 2023, 4(2), 173-175; https://doi.org/10.3390/epidemiologia4020018 (registering DOI) - 01 Jun 2023
Abstract
In encyclopaedic dictionaries published until 1955, the word “tumour” was defined as an “occupational disease suffered by the workers of chemical industries”, thus referring to a very specific cause [...] Full article
Article
Morphological and Compositional Analysis on Thermal Deposition of Supercritical Aviation Kerosene in Micro Channels
Molecules 2023, 28(11), 4508; https://doi.org/10.3390/molecules28114508 (registering DOI) - 01 Jun 2023
Abstract
The integration of active cooling systems in super or hypersonic aircraft using endothermic hydrocarbon fuels is considered an effective way to relieve the thermal management issues caused by overheating. When the temperature of aviation kerosene exceeds 150 °C, the oxidation reaction of fuel [...] Read more.
The integration of active cooling systems in super or hypersonic aircraft using endothermic hydrocarbon fuels is considered an effective way to relieve the thermal management issues caused by overheating. When the temperature of aviation kerosene exceeds 150 °C, the oxidation reaction of fuel is accelerated, forming insoluble deposits that could cause safety hazards. This work investigates the deposition characteristic as well as the morphology of the deposits formed by thermal-stressed Chinese RP-3 aviation kerosene. A microchannel heat transfer simulation device is used to simulate the heat transfer process of aviation kerosene under various conditions. The temperature distribution of the reaction tube was monitored by an infrared thermal camera. The properties and morphology of the deposition were analyzed by scanning electron microscopy and Raman spectroscopy. The mass of the deposits was measured using the temperature-programmed oxidation method. It is observed that the deposition of RP-3 is highly related to dissolved oxygen content (DOC) and temperature. When the outlet temperature increased to 527 °C, the fuel underwent violent cracking reactions, and the structure and morphology of deposition were significantly different from those caused by oxidation. Specifically, this study reveals that the structure of the deposits caused by short-to-medium term oxidation are dense, which is different from long-term oxidative deposits. Full article
(This article belongs to the Special Issue Advances in the Applications of Surface Enhanced Raman Scattering)
Article
The Scarface Score: Deciphering Response to DNA Damage Agents in High-Grade Serous Ovarian Cancer—A GEICO Study
Cancers 2023, 15(11), 3030; https://doi.org/10.3390/cancers15113030 (registering DOI) - 01 Jun 2023
Abstract
Genomic Instability (GI) is a transversal phenomenon shared by several tumor types that provide both prognostic and predictive information. In the context of high-grade serous ovarian cancer (HGSOC), response to DNA-damaging agents such as platinum-based and poly(ADP-ribose) polymerase inhibitors (PARPi) has been closely [...] Read more.
Genomic Instability (GI) is a transversal phenomenon shared by several tumor types that provide both prognostic and predictive information. In the context of high-grade serous ovarian cancer (HGSOC), response to DNA-damaging agents such as platinum-based and poly(ADP-ribose) polymerase inhibitors (PARPi) has been closely linked to deficiencies in the DNA repair machinery by homologous recombination repair (HRR) and GI. In this study, we have developed the Scarface score, an integrative algorithm based on genomic and transcriptomic data obtained from the NGS analysis of a prospective GEICO cohort of 190 formalin-fixed paraffin-embedded (FFPE) tumor samples from patients diagnosed with HGSOC with a median follow up of 31.03 months (5.87–159.27 months). In the first step, three single-source models, including the SNP-based model (accuracy = 0.8077), analyzing 8 SNPs distributed along the genome; the GI-based model (accuracy = 0.9038) interrogating 28 parameters of GI; and the HTG-based model (accuracy = 0.8077), evaluating the expression of 7 genes related with tumor biology; were proved to predict response. Then, an ensemble model called the Scarface score was found to predict response to DNA-damaging agents with an accuracy of 0.9615 and a kappa index of 0.9128 (p < 0.0001). The Scarface Score approaches the routine establishment of GI in the clinical setting, enabling its incorporation as a predictive and prognostic tool in the management of HGSOC. Full article
(This article belongs to the Special Issue Oncology: State-of-the-Art Research in Spain)
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Article
A Window into the Workings of anti-B18H22 Luminescence—Blue-Fluorescent Isomeric Pair 3,3′-Cl2-B18H20 and 3,4′-Cl2-B18H20 (and Others)
Molecules 2023, 28(11), 4505; https://doi.org/10.3390/molecules28114505 (registering DOI) - 01 Jun 2023
Abstract
The action of AlCl3 on room-temperature tetrachloromethane solutions of anti-B18H22 (1) results in a mixture of fluorescent isomers, 3,3′-Cl2-B18H20 (2) and 3,4′-Cl2-B18H20 (3 [...] Read more.
The action of AlCl3 on room-temperature tetrachloromethane solutions of anti-B18H22 (1) results in a mixture of fluorescent isomers, 3,3′-Cl2-B18H20 (2) and 3,4′-Cl2-B18H20 (3), together isolated in a 76% yield. Compounds 2 and 3 are capable of the stable emission of blue light under UV-excitation. In addition, small amounts of other dichlorinated isomers, 4,4′-Cl2-B18H20 (4), 3,1′-Cl2-B18H20 (5), and 7,3′-Cl2-B18H20 (6) were isolated, along with blue-fluorescent monochlorinated derivatives, 3-Cl-B18H21 (7) and 4-Cl-B18H21 (8), and trichlorinated species 3,4,3′-Cl3-B18H19 (9) and 3,4,4′-Cl3-B18H19 (10). The molecular structures of these new chlorinated derivatives of octadecaborane are delineated, and the photophysics of some of these species are discussed in the context of the influence that chlorination bears on the luminescence of anti-B18H22. In particular, this study produces important information on the effect that the cluster position of these substitutions has on luminescence quantum yields and excited-state lifetimes. Full article
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Article
Efficient Generators of the Generalized Fractional Gaussian Noise and Cauchy Processes
Fractal Fract. 2023, 7(6), 455; https://doi.org/10.3390/fractalfract7060455 (registering DOI) - 01 Jun 2023
Abstract
In the last years of the past century, complex correlation structures were empirically observed, both in aggregated and individual traffic traces, including long-range dependence, large-timescale self-similarity and multi-fractality. The use of stochastic processes consistent with these properties has opened new research fields in [...] Read more.
In the last years of the past century, complex correlation structures were empirically observed, both in aggregated and individual traffic traces, including long-range dependence, large-timescale self-similarity and multi-fractality. The use of stochastic processes consistent with these properties has opened new research fields in network performance analysis and in simulation studies, where the efficient synthetic generation of samples is one of the main topics. Nowadays, networks have to support data services for traffic sources that are poorly understood or still insufficiently observed, for which simple, reproducible, and good traffic models are yet to be identified, and it is reasonable to expect that previous generators could be useful. For this reason, as a continuation of our previous work, in this paper, we describe efficient and online generators of the correlation structures of the generalized fractional noise process (gfGn) and the generalized Cauchy (gC) process, proposed recently. Moreover, we explain how we can use the Whittle estimator in order to choose the parameters of each process that give rise to a better adjustment of the empirical traces. Full article
(This article belongs to the Section Engineering)
Article
Textural and Consumer-Aided Characterisation and Acceptability of a Hybrid Meat and Plant-Based Burger Patty
Foods 2023, 12(11), 2246; https://doi.org/10.3390/foods12112246 (registering DOI) - 01 Jun 2023
Abstract
The hamburger has been targeted for substitution by numerous plant-based alternatives. However, many consumers find the taste of these alternatives lacking, and thus we proposed a hybrid meat and plant-based burger as a more acceptable alternative for these consumers. The burger was made [...] Read more.
The hamburger has been targeted for substitution by numerous plant-based alternatives. However, many consumers find the taste of these alternatives lacking, and thus we proposed a hybrid meat and plant-based burger as a more acceptable alternative for these consumers. The burger was made from 50% meat (beef and pork, 4:1) and 50% plant-based ingredients, including texturised legume protein. Texture and sensory properties were evaluated instrumentally and through a consumer survey (n = 381) using the check-all-that-apply (CATA) method. Expressible moisture measurements indicated a significantly juicier eating experience for the hybrid compared to a beef burger (33.5% vs. 22.3%), which was supported by the CATA survey where “juicy” was used more to describe the hybrid than the beef burger (53% vs. 12%). Texture profile analysis showed the hybrid burger was significantly softer (Young’s modulus: 332 ± 34 vs. 679 ± 80 kPa) and less cohesive than a beef burger (Ratio 0.48 ± 0.02 vs. 0.58 ± 0.01). Despite having different textural and CATA profiles, overall liking of the hybrid burger and a beef burger were not significantly different. Penalty analysis indicated that “meat flavour”, “juiciness”, “spiciness” and “saltiness” were the most important attributes for a burger. In conclusion, the hybrid burger had different attributes and was described with different CATA terms than a beef burger but had the same overall acceptability. Full article
(This article belongs to the Special Issue Consumer Behavior Based on Food Source, Technology and Health Effect)
Article
Climate-Related Sea Level Rise and Coastal Wastewater Treatment Infrastructure Futures: Landscape Planning Scenarios for Negotiating Risks and Opportunities in Australian Urban Areas
Sustainability 2023, 15(11), 8977; https://doi.org/10.3390/su15118977 (registering DOI) - 01 Jun 2023
Abstract
Around the world, human populations and their supporting infrastructures are concentrated in coastal areas. With rising sea levels, these settlements and urban infrastructures are at risk of service interruptions, lasting damage and frequent climate-related hazards. Wastewater systems are especially vulnerable due to their [...] Read more.
Around the world, human populations and their supporting infrastructures are concentrated in coastal areas. With rising sea levels, these settlements and urban infrastructures are at risk of service interruptions, lasting damage and frequent climate-related hazards. Wastewater systems are especially vulnerable due to their proximity to coastlines. Despite the seriousness of sea-level-rise-induced challenges, a clear understanding of the risks and potential adaptations of coastal wastewater treatment systems and their associated landscapes in Australia has been overlooked. Further, there is a lack of urgency and awareness concerning this issue. In this study, we consider how scenario-based landscape design approaches might enhance current debates and approaches related to coastal change with particular reference to wastewater treatment systems and associated environmental landscapes. Adelaide is used as a case study, and a range of landscape planning exploratory scenarios are developed and evaluated to assess the possible consequences of different courses of action in uncertain contexts. We find that whilst wastewater treatment plants are threatened by climate-related hazards, there is an opportunity for landscape-scale environmental planning to manage risks and opportunities and improve ecological and economic outcomes. We also find that for wicked multidimensional problems, such as sea level rise, landscape scenario design testing can assist in identifying a number of creative adaptation approaches that are not immediately apparent. We find that approaches such as retreat, defense and accommodation are not mutually exclusive but can each share elements and strategies. The strategic potential of a more creative, scenario-based approach can therefore form a productive part of the sea level rise adaptation of coastal infrastructure landscapes in Australia and elsewhere. Full article
Article
Effect of Controlling Thiophene Rings on D-A Polymer Photocatalysts Accessed via Direct Arylation for Hydrogen Production
Molecules 2023, 28(11), 4507; https://doi.org/10.3390/molecules28114507 (registering DOI) - 01 Jun 2023
Abstract
Conjugated polymer photocatalysts for hydrogen production have the advantages of an adjustable structure, strong response in the visible light region, adjustable energy levels, and easy functionalization. Using an atom- and step-economic direct C–H arylation method, dibromocyanostilbene was polymerized with thiophene, dithiophene, terthiophene, and [...] Read more.
Conjugated polymer photocatalysts for hydrogen production have the advantages of an adjustable structure, strong response in the visible light region, adjustable energy levels, and easy functionalization. Using an atom- and step-economic direct C–H arylation method, dibromocyanostilbene was polymerized with thiophene, dithiophene, terthiophene, and fused thienothiophene and dithienothiophene, respectively, to produce donor–acceptor (D-A)-type linear conjugated polymers containing different thiophene derivatives with different conjugation lengths. Among them, the D-A polymer photocatalyst constructed from dithienothiophene could significantly broaden the spectral response, with a hydrogen evolution rate up to 12.15 mmol h−1 g−1. The results showed that the increase in the number of fused rings on thiophene building blocks was beneficial to the photocatalytic hydrogen production of cyanostyrylphene-based linear polymers. For the unfused dithiophene and terthiophene, the increase in the number of thiophene rings enabled more rotation freedom between the thiophene rings and reduced the intrinsic charge mobility, resulting in lower hydrogen production performance accordingly. This study provides a suitable process for the design of electron donors for D-A polymer photocatalysts. Full article
(This article belongs to the Special Issue π-Conjugated Functional Molecules & Polymers)
Article
Energetic Polymer Possessing Furazan, 1,2,3-Triazole, and Nitramine Subunits
Int. J. Mol. Sci. 2023, 24(11), 9645; https://doi.org/10.3390/ijms24119645 (registering DOI) - 01 Jun 2023
Abstract
A [3 + 2] cycloaddition reaction using dialkyne and diazide comonomers, both bearing explosophoric groups, to synthesize energetic polymers containing furazan and 1,2,3-triazole ring as well as nitramine group in the polymer chain have been described. The developed solvent- and catalyst-free approach is [...] Read more.
A [3 + 2] cycloaddition reaction using dialkyne and diazide comonomers, both bearing explosophoric groups, to synthesize energetic polymers containing furazan and 1,2,3-triazole ring as well as nitramine group in the polymer chain have been described. The developed solvent- and catalyst-free approach is methodologically simple and effective, the comonomers used are easily available, and the resulting polymer does not need any purification. All this makes it a promising tool for the synthesis of energetic polymers. The protocol was utilized to generate multigram quantities of the target polymer, which has been comprehensively investigated. The resulting polymer was fully characterized by spectral and physico-chemical methods. Compatibility with energetic plasticizers, thermochemical characteristics, and combustion features indicate the prospects of this polymer as a binder base for energetic materials. The polymer of this study surpasses the benchmark energetic polymer, nitrocellulose (NC), in a number of properties. Full article
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Article
Effects of the Structure and Operating Parameters on the Performance of an Electric Scooter
Sustainability 2023, 15(11), 8976; https://doi.org/10.3390/su15118976 (registering DOI) - 01 Jun 2023
Abstract
The research objective is to approach the dynamic and consumed electrical energy of an electric scooter by varying the key input parameters, including rider mass, electric scooter mass, wind speed, wheel radius, and slope grade. A simulation model of an electric scooter was [...] Read more.
The research objective is to approach the dynamic and consumed electrical energy of an electric scooter by varying the key input parameters, including rider mass, electric scooter mass, wind speed, wheel radius, and slope grade. A simulation model of an electric scooter was applied in a MATLAB-Simulink environment to investigate the scooter velocity, required power, battery voltage, and propulsion torque of the e-scooter. It was established by employing mathematical equations during the of electric scooters. The study found that the scooter velocity and electricity consumption were optimized by 3.9% and 0.08%, respectively, when the scooter weight decreased from 26 to 10 kg. The scooter velocity, electricity consumption, and required power decreased by 23.2%, 0.55%, and 8.56%, respectively, when the slope grade decreased from 1.15% to 0%. Following a wind speed reduction from 4 to 0 m/s, the consumed electricity and required power were optimized by 0.2% and 5.5%, respectively. The consumed electricity increased by 0.2% and the scooter velocity and required power significantly increased by 36.5% and 34.3% when the wheel radius increased from 0.105 to 0.185 m. Furthermore, the e-scooter could achieve an effective performance with a weight of 10 kg, wheel radius of 0.185 m, wind speed of 0 km/h, slope grade of 0%, and minimal rider weight. The simulation results showed that the scooter’s effective performance range and consumed electrical energy could be optimized by suitably adjusting the key structures and operating parameters. To support this research, a concurrent experiment investigated the dynamic characteristics and electricity consumption of the electric scooter during operation. The experimental and simulated results had the same patterns in similar initial conditions. Full article
(This article belongs to the Collection Sustainable Development of Electric Vehicle)
Article
Adsorption of Lead (II) Ions onto Goethite Chitosan Beads: Isotherms, Kinetics, and Mechanism Studies
ChemEngineering 2023, 7(3), 52; https://doi.org/10.3390/chemengineering7030052 (registering DOI) - 01 Jun 2023
Abstract
Lead is a highly toxic heavy metal that creates a water pollutant. It can be released from industrial processes, agricultural chemistry, and community wastes, affecting creatures and human health even at a low concentration. As a result, it is advised that lead be [...] Read more.
Lead is a highly toxic heavy metal that creates a water pollutant. It can be released from industrial processes, agricultural chemistry, and community wastes, affecting creatures and human health even at a low concentration. As a result, it is advised that lead be removed before releasing wastewater into the environment. This study synthesized three chitosan bead materials from shrimp shell wastes which were chitosan powder beads (CB), chitosan powder mixed with goethite beads (CFB), and chitosan powder beads coated with goethite (CBF) for removing lead in an aqueous solution. Their surface area, pore volumes, and pore sizes were explored according to Brunauer– Emmett–Teller, and their crystalline formations were investigated using an X-ray diffractometer. Their surface structures were studied using field emission scanning electron microscopy and a focus ion beam, and their chemical compositions were determined using an energy dispersive X-ray spectrometer. Their chemical functional groups were identified via Fourier-transform infrared spectroscopy. In addition, batch experiments were conducted to investigate the effects of several factors on removing lead, and the adsorption isotherm and kinetics were also investigated for determining their adsorption pattern and mechanism. In addition, the desorption experiments were studied to confirm their possible material reusability. The CBF demonstrated the highest surface area and smallest pore size compared with the other materials. In addition, the pore sizes of the CFB and CBF were micropores, whereas those of the CB were mesopores. All materials were semicrystalline structures, and the specific goethite peaks were observed in the CFB and CBF. All materials had spherical shapes with heterogeneous surfaces. Six chemical components of O, C, Ca, N, Cl, and Na were discovered in all materials, and Fe was only found in the CFB and CBF because of the addition of goethite. Five main chemical functional groups of N–H, O–H, C–H, C–O, and –COOH were found in all materials. The optimum conditions of the CB, CFB, and CBF for removing lead were 0.5 g, 16 h, pH 5, 0.5 g, 16 h, pH 5, and 0.4 g, 14 h, pH 5, respectively. The results of the batch experiments demonstrated that the CB, CFB, and CBF were high-efficiency adsorbents for removing lead in solution by more than 95%, whereby the CBF showed the highest lead removal of 99%. The Freundlich isotherm model and pseudo-second-order kinetic model helped to well explain their adsorption pattern and mechanism. The maximum lead adsorption capacities of the CB, CFB, and CBF were 322.58, 333.33, and 344.83 mg/g, respectively. Furthermore, all chitosan materials can be reused for more than three cycles with high lead removal by more than 94%; so, they are potential materials for application in industrial applications. Full article
(This article belongs to the Special Issue Feature Papers in Chemical Engineering)
Article
Fiber-Based SERS-Fluidic Polymeric Platforms for Improved Optical Analysis of Liquids
Bioengineering 2023, 10(6), 676; https://doi.org/10.3390/bioengineering10060676 (registering DOI) - 01 Jun 2023
Abstract
Downsizing surface-enhanced Raman spectroscopy (SERS) within microfluidic devices has opened interesting perspectives for the development of low-cost and portable (bio)sensors for the optical analysis of liquid samples. Despite the research efforts, SERS-fluidic devices still rely either on the use of expensive bulky set-ups [...] Read more.
Downsizing surface-enhanced Raman spectroscopy (SERS) within microfluidic devices has opened interesting perspectives for the development of low-cost and portable (bio)sensors for the optical analysis of liquid samples. Despite the research efforts, SERS-fluidic devices still rely either on the use of expensive bulky set-ups or on polymeric devices giving spurious background signals fabricated via expensive manufacturing processes. Here, polymeric platforms integrating fluidics and optics were fabricated with versatile designs allowing easy coupling with fiber-based Raman systems. For the first time, anti-fouling photocurable perfluoropolyether (PFPE) was explored for high-throughput SERS-integrating chip fabrication via replica molding of negative stamps obtained through standard and advanced fabrication processes. The PFPE devices comprised networks of channels for fluid handling and for optical fiber housing with multiple orientations. Embedded microfeatures were used to control the relative positioning of the fibers, thus guaranteeing the highest signal delivering and collection. The feasibility of PFPE devices as fiber-based SERS fluidic platforms was demonstrated through the straightforward acquisition of Raman-SERS spectra of a mixture of gold nanoparticles as SERS substrates with rhodamine 6G (Rh6G) at decreasing concentrations. In the presence of high-performing gold nanostars, the Rh6G signal was detectable at dilutions down to the nanomolar level even without tight focusing and working at low laser power—a key aspect for analyte detection in real-world biomedical and environmental applications. Full article
(This article belongs to the Special Issue Microfluidics and Miniaturized Systems in Bioengineering)
Article
Evaluation of Staging Systems for Cancer of the Nasal Vestibule
Cancers 2023, 15(11), 3028; https://doi.org/10.3390/cancers15113028 (registering DOI) - 01 Jun 2023
Abstract
Squamous cell carcinoma of the nasal vestibule is reported to account for less than one percent of all head and neck malignancies. It lacks a designated WHO ICD-O topography code, and multiple systems are available for the staging of this disease, which results [...] Read more.
Squamous cell carcinoma of the nasal vestibule is reported to account for less than one percent of all head and neck malignancies. It lacks a designated WHO ICD-O topography code, and multiple systems are available for the staging of this disease, which results in unwanted variability and the subsequent poor reliability of data. The aim of this study was to evaluate the currently available staging systems for cancer of the nasal vestibule, including the recently introduced classification by Bussu et al., which built on Wang’s original concept but with clearer anatomical cutoffs. Different staging systems for cancer of the nasal vestibule (UICC nasal cavity, UICC skin cancer of the head and neck, Wang and Bussu et al.) were evaluated via a retrospective analysis of 148 patients. The staging system, per Bussu et al., had the most balanced allocation of patients among the stages. When using the Wang classification as a reference, stage migration occurred less frequently with the Bussu classification. The widespread adoption of a single staging system, as well as the introduction of a designated topography code for cancer of the nasal vestibule, could lead to more uniformity in data reporting and improve an understanding of the incidence and disease outcome. The newly proposed carcinoma of the nasal vestibule classification by Bussu et al. has the potential to improve the staging and allocation among stages. Further analysis of survival data is needed to assess which classification system is best suited for nasal vestibule carcinoma. Full article
(This article belongs to the Special Issue Setting the Standards for Malignancies of the Nose Vestibule)
Article
Naringenin Induces HepG2 Cell Apoptosis via ROS-Mediated JAK-2/STAT-3 Signaling Pathways
Molecules 2023, 28(11), 4506; https://doi.org/10.3390/molecules28114506 (registering DOI) - 01 Jun 2023
Abstract
Hepatocarcinoma is one of the most prevalent digestive system tumors worldwide and lacks effective therapy. Recently, naringenin has been isolated from some citrus fruits, and its anticancer effects have been tested. However, the molecular mechanisms of naringenin and the potential implications of oxidative [...] Read more.
Hepatocarcinoma is one of the most prevalent digestive system tumors worldwide and lacks effective therapy. Recently, naringenin has been isolated from some citrus fruits, and its anticancer effects have been tested. However, the molecular mechanisms of naringenin and the potential implications of oxidative stress in naringenin-induced cytotoxicity in HepG2 cells remain elusive. Based on the above, the present study examined the effect of naringenin on the cytotoxic and anticancer mechanisms of HepG2 cells. Naringenin-induced HepG2 cell apoptosis was confirmed via the accumulation of the sub-G1 cell population, phosphatidylserine exposure, mitochondrial transmembrane potential loss, DNA fragmentation, caspase-3 activation, and caspase-9 activation. Furthermore, naringenin enhanced cytotoxic effects on HepG2 cells and triggered intracellular reactive oxygen species; the signaling pathways of JAK-2/STAT-3 were inhibited, and caspase-3 was activated to advance cell apoptosis. These results suggest that naringenin plays an important role in inducing apoptosis in HepG2 cells and that naringenin may be a promising candidate for cancer therapy. Full article

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