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Porphyromonas gingivalis (Pg) utilizes FimA fimbriae to colonize the gingival sulcus and evade the host immune system. The biogenesis of all FimA-related components is positively regulated by the FimS–FimR two-component system, making the FimS sensory protein an attractive target for preventing Pg infection. However, the specific environmental signal received by FimS remains unknown. We constructed random Pg mutant libraries to identify critical amino acid residues for signal sensing by FimS. Optimized error-prone polymerase chain reaction (PCR) was used to introduce a limited number of random mutations in the periplasmic-domain-coding sequence of fimS, and expression vectors carrying various mutants were generated by inverse PCR. More than 500 transformants were obtained from the fimS-knockout Pg strain using the Escherichia coli–Pg conjugal transfer system, whereas only ~100 transformants were obtained using electroporation. Four and six transformant strains showed increased and decreased fimA expression, respectively. Six strains had single amino acid substitutions in the periplasmic domain, indicating critical residues for signal sensing by FimS. This newly developed strategy should be generally applicable and contribute to molecular genetics studies of Pg, including the elucidation of structure–function relationships of proteins of interest. [ABSTRACT FROM AUTHOR]

XRD diffraction and IR absorption were investigated for raw loess powder and heat-treated loess powder. Raw loess retains its useful minerals, but loses their beneficial properties when calcined at 850 °C and 1050 °C. To utilize the useful minerals, loess balls were made using a low-temperature wet-drying method. The radiant energy and transmittance were measured for the loess balls. Far-infrared ray (FIR) emitted from loess bio-balls is selectively absorbed as higher vibrational energy by water molecules. FIR can raise the body's core temperature, thereby improving blood flow through the body's thermoregulatory mechanism. In an exploratory study with 40 participants, when the set temperature of the loess ball mat was increased from 25 °C to 50 °C, blood flow increased by 39.01%, from 37.48 mL/min to 52.11 mL/min, in the left middle finger; in addition, it increased by 39.62%, from 37.15 mL/min to 51.87 mL/min, in the right middle finger. The FIR emitted from loess balls can be widely applied, in various forms, to diseases related to blood flow, such as cold hands and feet, diabetic foot, muscle pain, and menstrual pain. [ABSTRACT FROM AUTHOR]

Livestock systems have been identified as major emitters of greenhouse gases due to the use of extensive areas with degraded pastures. The objective of this study was to analyze carbon (CO2) and methane (CH4) fluxes in the atmosphere as indicators of environmental sustainability in silvopastoral systems. CO2 and CH4 fluxes from soil to the atmosphere were monitored in a degraded pasture (predominant species: Panicum maximum cv. Mombaça) grown in full sun and compared with areas with tree species (Bertholletia excelsa, Dipteryx odorata, and Khaya grandifoliola) and productive pasture (Panicum maximum cv. Mombaça) grown in full sun. The study area was in Mojuí dos Campos, western Pará state, Eastern Amazon, Brazil. The evaluations were conducted in a Technological Reference Unit with a silvopastoral system, where animals used the shade of trees during high-temperature periods. The fluxes were measured using an ultraportable greenhouse gas analyzer coupled with static polyvinyl chloride ring chambers installed at the soil–air interface. In conclusion, areas with integrated systems (B. excelsa + pasture and K. grandifoliola + pasture) were better mitigators of CO2 emissions; the highest emissions occurred in the degraded pasture area during the rainiest months. The CH4 fluxes were more intense in the areas with degraded pasture and K. grandifoliola + pasture. Converting degraded pasture areas into integrated crop–livestock–forest systems reduced greenhouse gas emissions in the Amazon over 10 years of implementation. The implementation of integrated crop–livestock–forest systems in long-deforested areas with degraded pastures and a low production capacity showed high potential for changes focused on developing sustainable agriculture in the Amazon. [ABSTRACT FROM AUTHOR]

The integrity and permeability of epithelial and endothelial barriers depend on the formation of tight junctions, adherens junctions, and a junction-associated cytoskeleton. The establishment of this junction–cytoskeletal module relies on the correct folding and oligomerization of its protein components. Molecular chaperones are known regulators of protein folding and complex formation in different cellular compartments. Mammalian cells possess an elaborate chaperone network consisting of several hundred chaperones and co-chaperones. Only a small part of this network has been linked, however, to the regulation of intercellular adhesions, and the systematic analysis of chaperone functions at epithelial and endothelial barriers is lacking. This review describes the functions and mechanisms of the chaperone-assisted regulation of intercellular junctions. The major focus of this review is on heat shock protein chaperones, their co-chaperones, and chaperonins since these molecules are the focus of the majority of the articles published on the chaperone-mediated control of tissue barriers. This review discusses the roles of chaperones in the regulation of the steady-state integrity of epithelial and vascular barriers as well as the disruption of these barriers by pathogenic factors and extracellular stressors. Since cytoskeletal coupling is essential for junctional integrity and remodeling, chaperone-assisted assembly of the actomyosin cytoskeleton is also discussed. [ABSTRACT FROM AUTHOR]

The treatment of Acinetobacter baumannii infections remains a challenge for physicians worldwide in the 21st century. The bacterium possesses a multitude of mechanisms to escape the human immune system. The consequences of A. baumannii infections on morbidity and mortality, as well on financial resources, remain dire. Furthermore, A. baumannii superinfections have also occurred during the COVID-19 pandemic. While prevention is important, the antibiotic armamentarium remains the most essential factor for the treatment of these infections. The main problem is the notorious resistance profile (including resistance to carbapenems and colistin) that this bacterium exhibits. While newer beta lactam/beta-lactamase inhibitors have entered clinical practice, with excellent results against various infections due to Enterobacteriaceae, their contribution against A. baumannii infections is almost absent. Hence, we have to resort to at least one of the following, sulbactam, polymyxins E or B, tigecycline or aminoglycosides, against multidrug-resistant (MDR) and extensively drug-resistant (XDR) A. baumannii infections. Furthermore, the notable addition of cefiderocol in the fight against A. baumannii infections represents a useful addition. We present herein the existing information from the last decade regarding therapeutic advances against MDR/XDR A. baumannii infections. [ABSTRACT FROM AUTHOR]

To better understand processes involved in the evaporative drying of the soil, simulations on the dynamics of the evaporation zone, condensation zone, and dry surface layer (DSL) were conducted during a 10-day drying event under diurnal atmospheric conditions. Simulated water contents and soil temperatures matched well with the measured data in the lysimeter. Surface evaporation predominantly occurred during the early period each day, while subsurface evaporation dominated during the remaining part of the day. The evaporation zone presented a distinctly diurnal pattern, moving toward the deeper soil layer during the daytime and back toward the soil surface during the nighttime. The DSL and condensation zone, located immediately above and below the evaporation zone, respectively, also presented diurnal patterns following those of the evaporation zone. As soil drying progressed, both the position of the evaporation zone within the profile and the DSL width exhibited an overall increasing trend, reaching about 4.9 mm by the end of the study period. The occurrence of condensation zones was limited to the daytime when there was a downward surface temperature gradient present. Diurnal patterns observed in both evaporation zones and DSL could potentially be determined by quantifying changes in the near-surface profile's soil water content, relative humidity, pressure head, and vapor density. [ABSTRACT FROM AUTHOR]

The measurement of groundwater exchange between neighboring regions is a critical topic in water resource management and can usually be achieved through a combination of field investigations and the use of groundwater flow models. In this study, we employed the water balance and Darcy's law methods, utilizing downscaled Gravity Recovery and Climate Experiment (GRACE) and GRACE-Follow On (GRACE-FO) data to assess groundwater exchange patterns in the Beijing-Tianjin-Hebei (BTH) region of China. Additionally, we determined the contributions of human activities and climate factors to the observed variations via residual analysis. The results revealed a consistent decrease in groundwater storage in the study area since 2008, especially in the spring and summer months. The groundwater exchange rates calculated by 1° and 0.05° groundwater storage anomalies (GWSAs) were basically consistent, and the downscaled GWSAs could better reflect the small-scale groundwater exchange characteristics. The groundwater exchange rate showed a decreasing trend from the Piedmont plain to the coastal areas. A notable trend of declining groundwater exchange between the Taihang Mountains and Piedmont plains was observed, and the downward trend gradually intensified from north to south between 2003 and 2007. After 2008, there was an increasing trend, and coastal areas exhibited the smallest amount of groundwater exchange. Human activities emerged as the predominant factor accounting for more than 90.9% of the overall reduction in groundwater storage, while climate change imposed a minimal influence on groundwater storage variations. The insights obtained in this study hold significant implications for groundwater resource planning and management in the region. [ABSTRACT FROM AUTHOR]

Land use change (LUC) is recognized as one of the major drivers of the global loss of biodiversity and represents a major threat to ecosystems. Deforestation through LUC is mainly driven by fire regimes, logging, farming (cropping and ranching), and illegal mining, which are closely linked with environmental management policies. Efficient land management strategies, however, require reliable and robust information. Land monitoring is one such approach that can provide critical information to coordinate policymaking at the global, regional, and local scales, and enable a programmed implementation of shared commitments under the Rio Conventions: the United Nations Convention on Biological Diversity (CBD), Convention to Combat Desertification (UNCCD), and Framework Convention on Climate Change (UNFCCC). Here we use Peru as a case study to evaluate how a land monitoring system enables environmental policy decisions which appear in the country's international commitment reports. Specifically, we synthesize how effective the ongoing land monitoring system has been in responding to current and future environmental challenges; and how improvements in land monitoring can assist in the achievement of national commitments under the Rio Conventions. We find that Peruvian policies and commitments need to be improved to be consistent with the 1.5 °C temperature limit of the Paris agreement. Regarding the Aichi targets, Peru has achieved 17% land area with sustainable management; however, the funding deficit is a great challenge. Even though Peru commits to reducing GHG emissions by reducing LUC and improving agricultural and land use forestry practices, it needs policy improvements in relation to land tenure, governance, and equity. Potential explanations for the observed shortcomings include the fragmentation and duplication of government roles across sectors at both a national and regional scale. [ABSTRACT FROM AUTHOR]

Land subsidence, resulting from natural or human activities, is a global environmental geological disaster. The Interferometric Synthetic Aperture Radar (InSAR) time-series analysis technique offers high spatial and continuous temporal resolution, providing data and a foundation for investigating regional land subsidence and its evolution mechanism. Beijing Capital International Airport (BCIA) has experienced uneven land subsidence since 1935, together with severe fissures significantly affecting its normal operations. In this study, the time-series InSAR method was successfully applied to monitor the gradual increase in uneven local subsidence and ground fissures activity at BCIA from June 2003 to March 2023. Initially, ENVISAT-ASAR, Cosmo-SkyMed, and Sentinel-1 data were processed by time-series InSAR techniques to generate deformation rate maps and time series for the airport area. Subsequently, a comparison was made between the displacement time series from InSAR and ground leveling measurements to assess the accuracy of InSAR-derived measurements. Through a comprehensive analysis of the distribution characteristics of land subsidence at the airport, a long-standing ground fault was located within the airport was identified. A preliminary discussion on the development status of this ground fissure was carried out based on the visual interpretation of optical images. Lastly, the inducing factors and evolutionary conditions of land subsidence were discussed. This case demonstrates the applicability of InSAR technology in identifying and monitoring geological processes such as land subsidence and ground fissure activities. It provides a scientific approach to exploring and studying the causes and formation mechanisms of land subsidence and ground fissures in the Beijing Capital Airport area. [ABSTRACT FROM AUTHOR]

This paper introduces an agent-based model grounded in the ACO algorithm to investigate the impact of partitioning ant colonies on algorithmic performance. The exploration focuses on understanding the roles of group size and number within a multi-objective optimization context. The model consists of a colony of memory-enhanced ants (ME-ANTS) which, starting from a given position, must collaboratively discover the optimal path to the exit point within a grid network. The colony can be divided into groups of different sizes and its objectives are maximizing the number of ants that exit the grid while minimizing path costs. Three distinct analyses were conducted: an overall analysis assessing colony performance across different-sized groups, a group analysis examining the performance of each partitioned group, and a pheromone distribution analysis discerning correlations between temporal pheromone distribution and ant navigation. From the results, a dynamic correlation emerged between the degree of colony partitioning and solution quality within the ACO algorithm framework. [ABSTRACT FROM AUTHOR]

This narrative review explores the efficacy and tolerability of third-generation antipsychotics (TGAs)—aripiprazole, cariprazine, brexpiprazole, and lurasidone—for the management of substance-induced psychosis (SIP). SIP is a psychiatric condition triggered by substance misuse or withdrawal, characterized by unique features distinct from those of primary psychotic disorders. These distinctive features include a heightened prevalence of positive symptoms, such as hallucinations and delusions, in addition to a spectrum of mood and cognitive disturbances. This review comprehensively investigates various substances, such as cannabinoids, cocaine, amphetamines, and LSD, which exhibit a greater propensity for inducing psychosis. TGAs exhibit substantial promise in addressing both psychotic symptoms and issues related to substance misuse. This review elucidates the distinctive pharmacological properties of each TGA, their intricate interactions with neurotransmitters, and their potential utility in the treatment of SIP. We advocate for further research to delineate the long-term effects of TGAs in this context and underscore the necessity for adopting an integrated approach that combines pharmacological and psychological interventions. Our findings underscore the intricate and multifaceted nature of treating SIP, highlighting the potential role of TGAs within therapeutic strategies. [ABSTRACT FROM AUTHOR]

Background: Borderline personality disorder (BPD) is a heterogeneous and highly comorbid disorder. Suicidality, aggression and substance abuse are common presentations of BPD. Our case series is the first to highlight the role of brexpiprazole in improving these symptoms in patients with BPD. Case presentation: We describe three cases demonstrating the role of brexpiprazole in improving BPD's prominent features and comorbidities. All cases improved when brexpiprazole was added to their treatment regime. Case 1: A 26-year-old woman who was diagnosed with BPD and cyclothymia, presented to the psychiatric emergency unit with impulsive suicidal behaviour. Case 2: A 43-year-old woman suffering from BPD sought help due to her violent behaviour and emotional dysregulation. Case 3: A 22-year-old woman with underlying attention deficit and hyperactivity disorder, polysubstance use disorder and BPD presented with dysregulated emotions. Conclusions: Our case series provides anecdotal evidence of the potential role of brexpiprazole in attenuating suicidality, aggression and substance abuse in patients with BPD. We postulate that brexpiprazole's high affinity for the 5HT1A/5HT2A receptors, coupled with its low intrinsic effect on the D2/D3 receptor system, is fundamental in its actions to stabilise the aberrant dopaminergic and serotonergic signalling in BPD. Future research should focus on well-designed clinical trials investigating the efficacy of brexpiprazole in patients with BPD. [ABSTRACT FROM AUTHOR]

In this work, we studied Tanacetum vulgare, Tanacetum parthenium, and Tanacetum corymbosum (Asteraceae) cultivated at the Ghirardi Botanic Garden (Toscolano Maderno, Brescia, Northern Italy) of the University of Milan. An integrative research approach was adopted: microscopic and histochemical, with special focus on the secretory structures responsible for the productivity of secondary metabolites; phytochemical, with the analysis of the essential oil (EO) profiles from the air-dried, flowered aerial parts collected in June 2021; bio-ecological, with emphasis, based on literature data, on the ecology and biological activity of the main EO components. In all three species, two basic trichome morphotypes (flagellar non-glandular and biseriate glandular) occurred with different distribution patterns. The glandular ones produced terpenes, along with flavonoids. A high level of chemical variability in the EO compositions emerged, specifically for qualitative data. T. vulgare profile was more complex and heterogeneous than those obtained from T. parthenium and T. corymbosum, with camphor as the predominant compound, followed by farnesol and α-santalone, respectively. Finally, the obtained scientific findings were made available to the visitors of the botanic garden through new dissemination labeling that highlights the "invisible", microscopic features of the plants, from an Open Science perspective ("Botanic Garden, factories of molecules...work in progress"—Lombardy Region Project Lr. 25/2016, year 2021). [ABSTRACT FROM AUTHOR]

Karst groundwater resources are rich, and they have important water supply significance. A karst reservoir is a means of exploiting and utilizing groundwater resources, but because of the complex hydrogeological structure and underground river pipeline in a karst area, the seepage problem of the reservoir is extremely serious. Therefore, the Yibasan Karst Reservoir (YKR) was selected as the focus of this study. The hydrogeological structure of the subterranean river system of Yutang (SRSY) was identified and the hydraulic connections between the subterranean river conduits were determined using tracer experiment and groundwater dynamic monitoring. Furthermore, the development location and depth of the karst seepage zone of the YKR were determined using geophysical exploration. The results showed that there were three subterranean river conduits in the SRSY, and there was no hydraulic connection. The northern and southern pressure and torsion faults on the sides constitute the impervious boundary of the SRSY, which provided good catchment conditions for the formation of the YKR. Additionally, the northern and main conduits of the SRSY provide a sufficient groundwater source for the YKR. Moreover, the development width of the karst seepage zone of the YKR ranges between 40 and 60 m, and the elevation ranges between 1275 and 1355 m. The research results not only provide an effective basis for the treatment of the karst seepage problem of the YKR but also provide an important reference for the development and utilization of groundwater resources in similar karst areas. [ABSTRACT FROM AUTHOR]

With the intensification of human activities, nitrate pollutants in groundwater are receiving increasing attention worldwide. Especially in the arid Nile Delta of Egypt, groundwater is one of the most valuable water resources in the region. Identifying the source of nitrate in groundwater with strong human disturbances is important to effective water resource management. This paper examined the stable isotopes (δ15N/δ18O-NO3 and δ2H/δ18O-H2O) and the hydrogeochemical parameters of the shallow groundwaters in the arid southeast of the Nile Delta to assess the potential sources and transformation processes of nitrate under severe urban and agricultural activities. The results revealed that the groundwaters were recharged by the Nile River. Meanwhile, the infiltration of irrigation water occurred in the west, while the mixing with the deep groundwater occurred in the east regions of the study area. The TDS, SO42−, NO3−, and Mn2+ concentrations of groundwaters (n = 55) exceeded the WHO permissible limit with 34.6%, 23.6%, 23.6%, and 65.5%, respectively. The NO3− concentrations in the shallow groundwaters ranged from 0.42 mg/L to 652 mg/L, and the higher levels were observed in the middle region of the study area where the unconfined condition prevailed. It extended to the deep groundwater and eastward of the study area in the groundwater flow direction. The δ15N-NO3 and δ18O-NO3 values suggested that the groundwater NO3− in the west and east regions of semi-confined condition were largely from the nitrification of soil organic nitrogen (SON) and chemical fertilizer (CF). In contrast, wastewater input (e.g., domestic sewage and unlined drains) and prevalent denitrification were identified in the middle region. The denitrification might be tightly coupled with the biogeochemical cycling of manganese. This study provides the first report on the groundwater NO3− dynamics in the Nile Delta, which generated valuable clues for effective water resource management in the arid region. [ABSTRACT FROM AUTHOR]

Simple Summary: In this study, the utilization of citrus oil (CO) as a natural antimicrobial solution to address bacterial diseases in poultry farming was examined, with a focus on pullorum disease and fowl typhoid in wooden chips employed as floor materials. With a decline in antibiotic use in poultry leading to a resurgence of bacterial infections like salmonellosis, CO has emerged as a promising alternative. The oil effectively inhibited the growth of various Salmonella serovars, particularly S. Gallinarum and S. Pullorum, demonstrating its potential to control these diseases. This study also found that CO, when applied to wooden chips in poultry house floors, prevents the development of Salmonella. Additionally, the research revealed that CO downregulates virulence genes in the bacteria, suggesting it could alter their harmful effects. Overall, this natural antimicrobial shows promise in preventing and managing salmonellosis in chicken production, offering a valuable alternative for addressing re-emerging diseases and promoting healthier poultry farming practices. This study investigates the potential role of Cold-pressed Valencia Terpeneless citrus oil (CO), as a natural antimicrobial, in controlling causative agents of pullorum disease and fowl typhoid in floor materials for poultry farming, specifically wooden chips. The study addresses the issues that have arisen as a result of the reduction in antibiotic use in poultry farming, which has resulted in the re-emergence of bacterial diseases including salmonellosis. CO efficiently inhibits the growth of pathogens including various serovars of Salmonella enterica (SE), including SE serovar Gallinarum (S. Gallinarum) and SE serovar Pullorum (S. Pullorum), in a dose-dependent manner. Minimum Inhibitory Concentration (MIC) and Minimum Bactericidal Concentration (MBC) of CO showed potential for controlling diverse S. Gallinarum and S. Pullorum isolates. Growth inhibition assays demonstrated that 0.4% (v/w) CO eliminated S. Pullorum and S. Gallinarum from 24 h onwards, also impacting poultry gut microbiota and probiotic strains. Floor material simulation, specifically wooden chips treated with 0.4% CO, confirmed CO's effectiveness in preventing S. Gallinarum and S. Pullorum growth on poultry house floors. This study also investigated the effect of CO on the expression of virulence genes in S. Gallinarum and S. Pullorum. Specifically, the study revealed that the application of CO resulted in a downregulation trend in virulence genes, including spiA, invA, spaN, sitC, and sifA, in both S. Pullorum and S. Gallinarum, implying that CO may alter the pathogenicity of these bacterial pathogens. Overall, this study reveals that CO has the potential to be used as a natural antimicrobial in the prevention and management of Salmonella-related infections in chicken production, offering a viable alternative to control these re-emerging diseases. [ABSTRACT FROM AUTHOR]

The combined hydrochemical analysis, factor analysis, and isotopic signals of water and nitrate were applied to explore the hydrochemical origin and identify the sources and transformation of nitrate in river water and groundwater in the Huashan watershed. Additionally, a Bayesian isotope mixing model (SIAR) was employed for quantitative assessment of the nitrate sources. The results indicated that both river water and groundwater were dominated by HCO3-Ca and HCO3-Ca·Mg types; both originated from precipitation and were influenced by evaporation. The main constituent ions in the river water and groundwater primarily originated from carbonate and silicate dissolution, with the presence of cation exchange in the groundwater. The water chemistry of river water was greatly influenced by physicochemical factors, while that of groundwater was mainly controlled by water–rock interaction. NO3− in river water was mainly influenced by soil nitrogen (SN) and manure and septic wastes (MSWs), while NO3− in groundwater was jointly affected by ammonium fertilizers (AF), SN, and MSWs. With the exception of denitrification observed in the groundwater at the watershed outlet, denitrification was absent in both groundwater in the piedmont area and in river water. The SIAR model results demonstrated that the contribution rates of atmospheric precipitation (AP), AF, SN, and MSWs to river water were 12%, 21%, 25%, and 42%, respectively, while to groundwater, they were 16%, 27%, 10%, and 47%, respectively. Overall, MSWs were the main sources of nitrate in the river water and groundwater. It is necessary to prevent the leakage of MSWs when managing water resources. [ABSTRACT FROM AUTHOR]

The piperazine moiety is often found in drugs or in bioactive molecules. This widespread presence is due to different possible roles depending on the position in the molecule and on the therapeutic class, but it also depends on the chemical reactivity of piperazine-based synthons, which facilitate its insertion into the molecule. In this paper, we take into consideration the piperazine-containing drugs approved by the Food and Drug Administration between January 2011 and June 2023, and the synthetic methodologies used to prepare the compounds in the discovery and process chemistry are reviewed. [ABSTRACT FROM AUTHOR]

Air particle abrasion (APA) using bioactive glass (BG) effectively decontaminates titanium (Ti) surface biofilms and the retained glass particles on the abraded surfaces impart potent antibacterial properties against various clinically significant pathogens. The objective of this study was to investigate the effect of BG APA and simulated body fluid (SBF) immersion of sandblasted and acid-etched (SA) Ti surfaces on osteoblast cell viability. Another goal was to study the antibacterial effect against Streptococcus mutans. Square-shaped 10 mm diameter Ti substrates (n = 136) were SA by grit blasting with aluminum oxide particles, then acid-etching in an HCl-H2SO4 mixture. The SA substrates (n = 68) were used as non-coated controls (NC-SA). The test group (n = 68) was further subjected to APA using experimental zinc-containing BG (Zn4) and then mineralized in SBF for 14 d (Zn4-CaP). Surface roughness, contact angle, and surface free energy (SFE) were calculated on test and control surfaces. In addition, the topography and chemistry of substrate surfaces were also characterized. Osteoblastic cell viability and focal adhesion were also evaluated and compared to glass slides as an additional control. The antibacterial effect of Zn4-CaP was also assessed against S. mutans. After immersion in SBF, a mineralized zinc-containing Ca-P coating was formed on the SA substrates. The Zn4-CaP coating resulted in a significantly lower Ra surface roughness value (2.565 μm; p < 0.001), higher wettability (13.35°; p < 0.001), and higher total SFE (71.13; p < 0.001) compared to 3.695 μm, 77.19° and 40.43 for the NC-SA, respectively. APA using Zn4 can produce a zinc-containing calcium phosphate coating that demonstrates osteoblast cell viability and focal adhesion comparable to that on NC-SA or glass slides. Nevertheless, the coating had no antibacterial effect against S. mutans. [ABSTRACT FROM AUTHOR]

Follicle-stimulating hormone (FSH) regulates the development, growth, pubertal maturation and reproductive processes of the human body. The determination of serous FSH concentration is significant as an alternative to testicular biopsy in the case of boys suffering from cryptorchidism after orchidopexy, and as a means of determining the menopausal stage in women. The aim of this investigation is to develop a specific array surface plasmon resonance imaging (SPRi) biosensor for the determination of FSH in body liquids such as blood plasma, obtaining sufficient sensitivity to determine FSH at levels characteristic for that hormone in blood plasma, without any signal enhancement. The biosensor consists of a mouse monoclonal anti-FSH antibody attached to the gold surface of a chip via a cysteamine linker. Its linear response range is from 0.08 mIU mL−1 (LOQ) to 20 mIU mL−1, and well covers most of the range of FSH activities found in blood without dilution. The precision of measurement is between 3.2% and 13.1% for model samples, and between 3.7% and 5.6% for spiked plasma samples. Recoveries are in the range from 94% to 108%. The biosensor has good selectivity, and is validated by comparison with ECLE, with good agreement of the results [ABSTRACT FROM AUTHOR]

In Central Africa, groundwater remains the least understood component of the water cycle. Isotopic techniques that are well known to be efficient in tracking the movement of water along its path have been applied for only three decades and can be summarized in a handful of case studies. This review aims to put together all the stable and radioactive isotopic data (>500 samples from rainfall, surface and groundwater) published in Cameroon to: (i) identify the drivers responsible for precipitation isotopes' spatial variation and climatological implications, (ii) elucidate the groundwater recharge mechanisms over the countries and relationships with rivers, and (iii) highlight the existence of paleo-groundwater in the country. It is found that rainfall stable isotope variation is linked to the migration of the Intertropical Convergence Zone (ITCZ): the groundwater recharge can be diffuse and focused. This latter mechanism is mainly observed in the semi-arid region. It is in this relatively dry region that most of the paleo-groundwater resources are identified thanks to 14C dating. This information will be useful to develop water management strategies regarding all the challenges (e.g., climatic and demographic) faced by the country. Finally, this paper discusses the gaps groundwater isotope hydrology can still fill for contributing to a sustainable development of the country. [ABSTRACT FROM AUTHOR]

Despite the overall extension of the Amazon Basin (approximately 6,000,000 km 2 ),which encompasses such a complex ecosystem and territories belonging to seven different nations, it is worth mentioning that environmental assessments related to changes in land use and land cover (LULC) in this region are often conducted respecting geopolitical boundaries associated with each country or taking into account the so-called Amazon biome. With the purpose of prospecting the intricate and hidden hydrological patterns, we undertake an in-depth evaluation of the water balance along the 2001–2021 time span across the whole basin, whose behavior depends on the features deriving from the metamorphoses in land use and land cover. To accomplish that task, the influence of the components of the water balance, namely rainfall and evapotranspiration, jointly with the terrestrial topographic mapping, are examined to investigate the interactions among the physical mechanisms that make up the hydrological cycle and the corresponding physical hydrological processes triggered by deforestation and reforestation in the region. More specifically, the modeling approach was rigorously designed to also consider, separately or not, Negro, Solimões, Madeira, Tapajós and Xingu hydrographic sub-basins, which are the most important ones of the Amazon Basin. The results highlight that in the southern region of the Amazon, specifically within the Madeira river sub-basin, the lowest forest coverage is observed (56.0%), whereas in the northern Negro river sub-basin, the most notable forest coverage is observed (85.0%). The most preserved forest areas, such as the Negro and Solimões river sub-basins, with percentages of 81.9% and 74.2%, respectively, have higher annual rates of precipitation and evapotranspiration over time. On the other hand, regions that suffered the most intense deforestation along the time period studied, such as the Madeira, Tapajós and Xingu sub-basins, have lower annual rates of precipitation and evapotranspiration, with preservation percentages of 54.6%, 62.6% and 70.7%, respectively. As the pace of deforestation slowed between 2003 and 2013, annual precipitation rates increased by 12.0%, while evapotranspiration decreased by 2.0%. The hydrological findings of this paper highlight th predominant role of the forest in the context of the global water balance of the Amazon Basin and the potential to also produce distinct impacts within different parts of the basin in terms of having more or less rainfall and evapotranspiration. In addition, those variabilities in the hydrological operational components and mechanisms due to changes in land cover and land use also reveal the potential impacts that could be expected in the surrounding areas, closer or farther, notably beyond the limits of the Amazon Basin. [ABSTRACT FROM AUTHOR]

Signaling pathways that integrate a large set of inputs (both extra- and intracellular) to control cell proliferation are essential during both development and adult stages to guarantee organism homeostasis. Mobs are small adaptor proteins that participate in several of these signaling pathways. Here, we review recent advances unravelling Mob4 cellular functions, a highly conserved non-catalytic protein, that plays a diversity of roles in cell proliferation, sperm cell differentiation and is simultaneously involved in synapse formation and neural development. In addition, the gene is often overexpressed in a large diversity of tumors and is linked to poor clinical outcomes. Nevertheless, Mob4 molecular functions remain poorly defined, although it integrates the core structure of STRIPAK, a kinase/phosphatase protein complex, that can act upstream of the Hippo pathway. In this review we focus on the recent findings of Mob4 functions, that have begun to clarify its critical role on cell proliferation and the development of tissues and individuals. [ABSTRACT FROM AUTHOR]

Large-scale land use/land cover changes have occurred in Mato Grosso State (hereafter MT), Brazil, following the introduction of extensive mechanized agriculture and pastoral activities since the 1980s. Author investigated what kind of agro-pastoral activities which are both cattle ranching and top five crops (soybean, sugarcane, corn, cotton and rice) that are closely related to land use change on lands experiencing conversion land use change (such as deforestation and the increase in deeply anthropogenically influenced areas) at each municipal district in MT. Then, this study identifies the volume of exports including contribution ratio by municipal districts where land use changed due to agro-pastoral activities. The patterns of vegetation change indicated that cattle ranching, corn, cotton, rice croplands in the northwest, and soybean and sugarcane fields in the central areas are the main contributors to deforestation. It is shown that land use change due to soybean or corn cultivation occurs mainly in the west and the southeast, respectively. Corn cultivation is associated with a greater increase in anthropogenically influenced areas than soybean cultivation. The municipal districts that export each agro-pastoral product with land use change are limited. Exports of soybeans, corn, and cotton in the municipal districts associated with deforestation had increased dramatically after experienced land use change. For example, Sapezal, which has experienced deforestation, was the only municipal district associated with export of corn to only Switzerland. Since 2007, the number of export partners has increased to 56 countries with the export volume increased 2300 times. These findings highlight the overall non-sustainability of environmental resource development activities in MT. [ABSTRACT FROM AUTHOR]

Forest phytophysiognomies have specific spatial patterns that can be mapped or translated into spectral patterns of vegetation. Regions of spectral similarity can be classified by reference to color, tonality or intensity of brightness, reflectance, texture, size, shape, neighborhood influence, etc. We evaluated the power of accuracy of supervised classification algorithms via per-pixel (maximum likelihood) and geographic object-based image analysis (GEOBIA) for distinguishing spectral patterns of the vegetation in the northern Brazilian Amazon. A total of 280 training samples (70%) and 120 validation samples (30%) of each of the 11 vegetation cover and land-use classes (N = 4400) were classified based on differences in their visible (RGB), near-infrared (NIR), and medium infrared (SWIR 1 or MIR) Landsat 8 (OLI) bands. Classification by pixels achieved a greater accuracy (Kappa = 0.75%) than GEOBIA (Kappa = 0.72%). GEOBIA, however, offers a greater plasticity and the possibility of calibrating the spectral rules associated with vegetation indices and spatial parameters. We conclude that both methods enabled precision spectral separations (0.45–1.65 μm), contributing to the distinctions between forest phytophysiognomies and land uses—strategic factors in the planning and management of natural resources in protected areas in the Amazon region. [ABSTRACT FROM AUTHOR]

Water percolation usually occurs in soil, making it highly challenging to simultaneously monitor and verify the water percolation process in real-time. We propose employing electrical resistivity tomography and the photography technique, respectively, to visualize and validate water percolation. An experiment was conducted to monitor water percolation in sand within a transparent glass trough using electrical resistivity tomography (ERT) and photography techniques. The experimental results show that the relatively low-resistivity anomalies in the electrical resistivity profiles and correction electrical resistivity profiles, derived from the experimental data, have a half-ellipse shape, while the wetting areas captured in the photographs exhibit a bulb-shaped pattern. The relatively low-electrical-resistivity anomaly areas delineated by the 2000 Ω·m contour line in the electrical resistivity profiles and the 120 Ω·m contour line in the correction electrical resistivity profiles exhibit a remarkable correspondence with the wetting areas captured in the simultaneous photographs. Our findings show that the ERT and photography techniques are suitable for the real-time monitoring and simultaneous verification of water percolation in sand within a narrow glass trough. [ABSTRACT FROM AUTHOR]

To overcome the shortcomings of traditional extraction methods, such as long extraction time and low efficiency, and considering the low content and high complexity of total flavonoids in Artemisia absinthium L., in this experiment, we adopted ultrasound-assisted enzymatic hydrolysis to improve the yield of total flavonoids, and combined this with molecular docking and network pharmacology to predict its core constituent targets, so as to evaluate its antitumor activity. The content of total flavonoids in Artemisia absinthium L. reached 3.80 ± 0.13%, and the main components included Astragalin, Cynaroside, Ononin, Rutin, Kaempferol-3-O-rutinoside, Diosmetin, Isorhamnetin, and Luteolin. Cynaroside and Astragalin exert their cervical cancer inhibitory functions by regulating several signaling proteins (e.g., EGFR, STAT3, CCND1, IGFIR, ESR1). Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis showed that the anticancer activity of both compounds was associated with the ErbB signaling pathway and FoxO signaling pathway. MTT results showed that total flavonoids of Artemisia absinthium L. and its active components (Cynaroside and Astragalin) significantly inhibited the growth of HeLa cells in a concentration-dependent manner with IC50 of 396.0 ± 54.2 μg/mL and 449.0 ± 54.8 μg/mL, respectively. Furthermore, its active components can mediate apoptosis by inducing the accumulation of ROS. [ABSTRACT FROM AUTHOR]

Assessing the biocompatibility of endodontic root-end filling materials through cell line responses is both essential and of utmost importance. This study aimed to the cytotoxicity of the type of cell death through apoptosis and autophagy, and odontoblast cell-like differentiation effects of MTA, zinc oxide–eugenol, and two experimental Portland cements modified with bismuth (Portland Bi) and barium (Portland Ba) on primary cell cultures. Material and methods: The cells corresponded to human periodontal ligament and gingival fibroblasts (HPLF, HGF), human pulp cells (HPC), and human squamous carcinoma cells from three different patients (HSC-2, -3, -4). The cements were inoculcated in different concentrations for cytotoxicity evaluation, DNA fragmentation in electrophoresis, apoptosis caspase activation, and autophagy antigen reaction, odontoblast-like cells were differentiated and tested for mineral deposition. The data were subject to a non-parametric test. Results: All cements caused a dose-dependent reduction in cell viability. Contact with zinc oxide–eugenol induced neither DNA fragmentation nor apoptotic caspase-3 activation and autophagy inhibitors (3-methyladenine, bafilomycin). Portland Bi accelerated significantly (p < 0.05) the differentiation of odontoblast-like cells. Within the limitation of this study, it was concluded that Portland cement with bismuth exhibits cytocompatibility and promotes odontoblast-like cell differentiation. This research contributes valuable insights into biocompatibility, suggesting its potential use in endodontic repair and biomimetic remineralization. [ABSTRACT FROM AUTHOR]

Payment for ecosystem services (PES) is an innovative economic intervention to mitigate the decline of ecosystem services and biodiversity; it plays a key role in harmonizing protection and development. Based on numerous PES practices worldwide, PES has emerged as a research hotspot in the field of sustainability. This paper presents a comprehensive scientometric analysis of PES academic publications between 1987 and 2022. The study aims to characterize the intellectual landscape of PES by identifying and visualizing the evolution of the collaboration network, the co-citation network, and emerging research trends. The findings reveal a rapid increase in publications of this field, indicating its growing importance as an interdisciplinary research subject. In particular, PES has gained significant attention from numerous researchers since 2007. Environmental sciences and ecology (50.77%) have been the core subjects, followed by business economics (11.04%) and biodiversity conservation (9.58%). Engineering (3.52%) and water resources (3.40%) have emerged as new fields in recent years. Notably, productive authors and institutions in this domain are primarily located in the United States, China, and the United Kingdom. However, fewer stable collaborations were found between China and European countries. Regarding the keywords, the most popular keywords of this topic were "ecosystem service" (1423), "conservation" (1324), and "biodiversity" (1029). By synthesizing the literature, this paper identifies pressing topics related to the effectiveness of PES, including the evaluation of effectiveness, efficiency assessment, and equity. Through an in-depth analysis, this paper elucidates global trends and directions in PES research. It is important to create a fair and efficient market that boosts the motivation and initiative of society to engage in PES initiatives, to increase investment in comprehensive PES projects, which helps improve the efficiency of fund utilization, especially concerning climate change mitigation. It is proposed to integrate natural sciences and social sciences to comprehensively assess the effectiveness of climate-friendly PES, which contributes to the sustainable development of PES research and application. [ABSTRACT FROM AUTHOR]

This review article describes a historical perspective of elucidation of the nature of the chemical bonds of the high-valent transition metal oxo (M=O) and peroxo (M-O-O) compounds in chemistry and biology. The basic concepts and theoretical backgrounds of the broken-symmetry (BS) method are revisited to explain orbital symmetry conservation and orbital symmetry breaking for the theoretical characterization of four different mechanisms of chemical reactions. Beyond BS methods using the natural orbitals (UNO) of the BS solutions, such as UNO CI (CC), are also revisited for the elucidation of the scope and applicability of the BS methods. Several chemical indices have been derived as the conceptual bridges between the BS and beyond BS methods. The BS molecular orbital models have been employed to explain the metal oxyl-radical character of the M=O and M-O-O bonds, which respond to their radical reactivity. The isolobal and isospin analogy between carbonyl oxide R2C-O-O and metal peroxide LFe-O-O has been applied to understand and explain the chameleonic chemical reactivity of these compounds. The isolobal and isospin analogy among Fe=O, O=O, and O have also provided the triplet atomic oxygen (3O) model for non-heme Fe(IV)=O species with strong radical reactivity. The chameleonic reactivity of the compounds I (Cpd I) and II (Cpd II) is also explained by this analogy. The early proposals obtained by these theoretical models have been examined based on recent computational results by hybrid DFT (UHDFT), DLPNO CCSD(T0), CASPT2, and UNO CI (CC) methods and quantum computing (QC). [ABSTRACT FROM AUTHOR]

Polymethylmethacrylate (PMMA) is the most commonly used bone void filler in orthopedic surgery. However, the biocompatibility and radiopacity of PMMA are insufficient for such applications. In addition to insufficient biocompatibility, the microbial infection of medical implants is one of the frequent causes of failure in bone reconstruction. In the present work, the preparation of a novel PMMA-based hydroxyapatite/ZnFe2O4/ZnO composite with heterophase ZnFe2O4/ZnO NPs as an antimicrobial agent was described. ZnFe2O4/ZnO nanoparticles were produced using the electrical explosion of zinc and iron twisted wires in an oxygen-containing atmosphere. This simple, highly productive, and inexpensive nanoparticle fabrication approach could be readily adapted to different applications. From the findings, the presented composite material showed significant antibacterial activity (more than 99% reduction) against P. aeruginosa, S. aureus, and MRSA, and 100% antifungal activity against C. albicans, as a result of the combined use of both ZnO and ZnFe2O4. The composite showed excellent biocompatibility against the sensitive fibroblast cell line 3T3. The more-than-70% cell viability was observed after 1–3 days incubation of the sample. The developed composite material could be a potential material for the fabrication of 3D-printed implants. [ABSTRACT FROM AUTHOR]

Titanium surfaces were anodized to create nanotube structures utilizing an aqueous electrolyte made of xanthan gum (XG) and sodium fluoride. The purpose of employing this type of anodizing solution was to investigate the impact of XG addition on the morphology and organization of nanotubes. As far as we know, this is the first time that TiO2 nanotubes, made using aqueous electrolytes with XG as an additive, have been reported. The organization of the nanotubes was measured using the regularity ratio (RR) from the fast Fourier transformation (FFT) pictures. Contrary to the nanotubes formed in aqueous solutions without XG, the addition of XG to the aqueous electrolyte improved the nanotube organization, with no effect on packability. Based on the findings of this experimental work, organized and homogeneous nanotubular structures might be produced utilizing an inexpensive and non-toxic aqueous electrolyte. [ABSTRACT FROM AUTHOR]

The localization of pollution sources is one of the main tasks in environmental engineering. For this paper, models of spatial distribution of nitrate concentration in groundwater were created, and the point of highest concentration was determined. This point represents the assumed location of the pollution source and differs from the actual location, so there is a certain distance between the measured and assumed location. This paper puts forward a new hypothesis that the distance between the measured and the assumed location is a function of the variance of the estimation error. The scientific contribution of this paper is based on the fact that the interaction of statistical and geostatistical methods can locate the dominant point source of pollution or narrow down the search area. The above hypothesis is confirmed by the example of the Varaždin wellfield, which was closed due to an excessively high groundwater nitrate concentration. Seven different interpolation methods were used to create spatial distribution models. Each method provides a different model, a different variance of the estimation error, and estimates of the location of the pollution source. The smallest value of variance of the estimation error of 1.65 was obtained for the minimum curvature interpolation method and the largest value of variance (24.49) was obtained for the kriging with logarithmic variogram. Our results show a nonlinear and monotonic relationship between the distance and the variance of the estimation error, so logarithmic and rational quadratic models were fitted to the scatter point data. The models were linearized, a t-test was performed, and the results show that the models can be considered reliable, which is confirmed by the values of the coefficients of determination of the linearized models, which are around 0.50. The obtained results can be used in planning additional research work to determine the measured location of the pollution source. The research methodology we used is universal and can be applied to other locations where high concentrations of certain contaminants have been detected in groundwater in alluvial aquifers. [ABSTRACT FROM AUTHOR]

The accurate estimation of gross primary productivity (GPP) plays an important role in accurately projecting the terrestrial carbon cycle and climate change. Satellite-driven near-infrared reflectance (NIRv) can be used to estimate GPP based on their nearly linear relationship. Notably, previous studies have reported that the relationship between NIRv and GPP seems to be biome-specific (or land cover) at the ecosystem scale due to both biotic and abiotic effects. Hence, the NIRv-based estimation of GPP may be influenced by land cover changes (LCC) and the discrepancies in multisource products (DMP). However, these issues have not been well understood until now. Therefore, this study took the Yellow River basin (YRB) as the study area. This area has experienced remarkable land cover changes in recent decades. We used Moderate-Resolution Imaging Spectroradiometer (MODIS) and European Space Agency (ESA) Climate Change Initiative (CCI) land cover products (termed MCD12C1 and ESACCI, respectively) during 2001–2018 to explore the impact of land cover on NIRv-estimated GPP. Paired comparisons between the static and dynamic schemes of land cover using the two products were carried out to investigate the influences of LCC and DMP on GPP estimation by NIRv. Our results showed that the dominant land cover types in the YRB were grassland, followed by cropland and forest. Meanwhile, the main transfer was characterized by the conversion from other land cover types (e.g., barren) to grassland in the northwest of the YRB and from grassland and shrubland to cropland in the southeast of the YRB during the study period. Moreover, the temporal and spatial pattern of GPP was highly consistent with that of NIRv, and the average increase in GPP was 2.14 gCm−2yr−1 across the YRB. Nevertheless, it is shown that both LCC and DMP had significant influences on the estimation of GPP by NIRv. That is, the areas with obvious differences in NIRv-based GPP closely correspond to the areas where land cover types dramatically changed. The achievements of this study indicate that considering the land cover change and discrepancies in multisource products would help to improve the accuracy of NIRv-based estimated GPP. [ABSTRACT FROM AUTHOR]

While the construction and operation of subways have brought convenience to commuters, it has also caused ground subsidence and cracks of facilities around subways. The industry mainly adopts traditional manual detection methods to monitor these settlements and cracks. The current approaches have difficulties in achieving all-weather, all-region dynamic monitoring, increasing the traffic burden of the city during the monitoring work. The study aims to provide a large-scale settlement detection approach based on PS-InSAR for the monitoring of subway facilities. Meanwhile, this paper proposes a crack detection method that is based on UAVs and the VGG16 algorithm to quantify the length and width of cracks. The experimental data of Shenzhen University Section of Metro Line 9 are used to verify the proposed settlement model and to illustrate the monitoring process. The developed model is innovative in that it can monitor the settlement of large-scale facilities around the subway with high accuracy around the clock and automatically identify and quantify the cracks in the settled facilities around the subway. [ABSTRACT FROM AUTHOR]

Electron paramagnetic resonance spectroscopy is a long-standing method for the exploration of electronic structures of transition ion complexes. The difficulty of its analysis varies considerably, not only with the nature of the spin system, but more so with the relative magnitudes of the magnetic interactions to which the spin is subject, where particularly challenging cases ensue when two interactions are of comparable magnitude. A case in point is the triplet system S = 1 of coordination complexes with two unpaired electrons when the electronic Zeeman interaction and the electronic zero-field interaction are similar in strength. This situation occurs in the X-band spectra of the thermally excited triplet state of dinuclear copper(II) complexes, exemplified by copper acetate monohydrate. In this study, applicability of the recently developed low-frequency broadband EPR spectrometer to S = 1 systems is investigated on the analysis of multi-frequency, 0.5–16 GHz, data from [Cu(CH3COO)2H2O]2. Global fitting affords the spin Hamiltonian parameters gz = 2.365 ± 0.008; gy = 2.055 ± 0.010; gx = 2.077 ± 0.005; Az = 64 gauss; D = 0.335 ± 0.002 cm−1; E = 0.0105 ± 0.0003 cm−1. The latter two define zero-field absorptions at ca. 630, 7730, and 10,360 MHz, which show up in the spectra as one half of a sharpened symmetrical line. Overall, the EPR line shape is Lorentzian, reflecting spin-lattice relaxation, which is a combination of an unusual, essentially temperature-independent, inverted Orbach process via the S = 0 ground state, and a Raman process proportional to T2. Other broadening mechanisms are limited to at best minor contributions from a distribution in E values, and from dipolar interaction with neighboring copper pairs. Monitoring of a first-order double-quantum transition between 8 and 35 GHz shows a previously unnoticed very complex line shape behavior, which should be the subject of future research. [ABSTRACT FROM AUTHOR]

Influenza represents a profoundly transmissible viral ailment primarily afflicting the respiratory system. Neuraminidase inhibitors constitute a class of antiviral therapeutics employed in the management of influenza. These inhibitors impede the liberation of the viral neuraminidase protein, thereby impeding viral dissemination from the infected cell to host cells. As such, neuraminidase has emerged as a pivotal target for mitigating influenza and its associated complications. Here, we apply a de novo hybridization approach based on a breed-centric methodology to elucidate novel neuraminidase inhibitors. The breed technique amalgamates established ligand frameworks with the shared target, neuraminidase, resulting in innovative inhibitor constructs. Molecular docking analysis revealed that the seven synthesized breed molecules (designated Breeds 1–7) formed more robust complexes with the neuraminidase receptor than conventional clinical neuraminidase inhibitors such as zanamivir, oseltamivir, and peramivir. Pharmacokinetic evaluations of the seven breed molecules (Breeds 1–7) demonstrated favorable bioavailability and optimal permeability, all falling within the specified parameters for human application. Molecular dynamics simulations spanning 100 nanoseconds corroborated the stability of these breed molecules within the active site of neuraminidase, shedding light on their structural dynamics. Binding energy assessments, which were conducted through MM-PBSA analysis, substantiated the enduring complexes formed by the seven types of molecules and the neuraminidase receptor. Last, the investigation employed a reaction-based enumeration technique to ascertain the synthetic pathways for the synthesis of the seven breed molecules. [ABSTRACT FROM AUTHOR]

The folded structures of proteins can be accurately predicted by deep learning algorithms from their amino-acid sequences. By contrast, in spite of decades of research studies, the prediction of folding pathways and the unfolded and misfolded states of proteins, which are intimately related to diseases, remains challenging. A two-state (folded/unfolded) description of protein folding dynamics hides the complexity of the unfolded and misfolded microstates. Here, we focus on the development of simplified order parameters to decipher the complexity of disordered protein structures. First, we show that any connected, undirected, and simple graph can be associated with a linear chain of atoms in thermal equilibrium. This analogy provides an interpretation of the usual topological descriptors of a graph, namely the Kirchhoff index and Randić resistance, in terms of effective force constants of a linear chain. We derive an exact relation between the Kirchhoff index and the average shortest path length for a linear graph and define the free energies of a graph using an Einstein model. Second, we represent the three-dimensional protein structures by connected, undirected, and simple graphs. As a proof of concept, we compute the topological descriptors and the graph free energies for an all-atom molecular dynamics trajectory of folding/unfolding events of the proteins Trp-cage and HP-36 and for the ensemble of experimental NMR models of Trp-cage. The present work shows that the local, nonlocal, and global force constants and free energies of a graph are promising tools to quantify unfolded/disordered protein states and folding/unfolding dynamics. In particular, they allow the detection of transient misfolded rigid states. [ABSTRACT FROM AUTHOR]

Simple Summary: Non-small-cell lung cancer (NSCLC) accounts for approximately 85% of all lung cancers, and the postoperative survival of early-stage NSCLC patients remains unsatisfactory. Over the last several decades, mutant genes, immunological checkpoints, and blood-based biomarkers have been developed and tested to have diverse effects on the survival of early-stage NSCLC. Herein, we reviewed the pertinent literature to determine the prognostic effect of related indicators on early-stage NSCLC, and we will accurately predict patient outcomes and guide patient treatment in the future. The postoperative survival of early-stage non-small-cell lung cancer (NSCLC) patients remains unsatisfactory. In this review, we examined the relevant literature to ascertain the prognostic effect of related indicators on early-stage NSCLC. The prognostic effects of the epidermal growth factor receptor (EGFR), anaplastic lymphoma kinase (ALK), mesenchymal–epithelial transition (MET), C-ros oncogene 1 (ROS1), or tumour protein p53 (TP53) alterations in resected NSCLC remains debatable. Kirsten rat sarcoma viral oncogene homologue (KRAS) alterations indicate unfavourable outcomes in early-stage NSCLC. Meanwhile, adjuvant or neoadjuvant EGFR-targeted agents can substantially improve prognosis in early-stage NSCLC with EGFR alterations. Based on the summary of current studies, resected NSCLC patients with overexpression of programmed death-ligand 1 (PD-L1) had worsening survival. Conversely, PD-L1 or PD-1 inhibitors can substantially improve patient survival. Considering blood biomarkers, perioperative peripheral venous circulating tumour cells (CTCs) and pulmonary venous CTCs predicted unfavourable prognoses and led to distant metastases. Similarly, patients with detectable perioperative circulating tumour DNA (ctDNA) also had reduced survival. Moreover, patients with perioperatively elevated carcinoembryonic antigen (CEA) in the circulation predicted significantly worse survival outcomes. In the future, we will incorporate mutated genes, immune checkpoints, and blood-based biomarkers by applying artificial intelligence (AI) to construct prognostic models that predict patient survival accurately and guide individualised treatment. [ABSTRACT FROM AUTHOR]

Mapping slaughterhouse supply zones is crucial for assessing cattle concentration, environmental impact, and promoting sustainable practices. This study combines cattle transit records (GTA in Portuguese) with rural property boundaries (CAR in Portuguese) to map these zones in the Brazilian Amazon. It evaluates the influence of Zero-Deforestation Cattle Agreements (CA) and explores the overlap between CA and non−CA slaughterhouse supply zones. Results reveal that CA slaughterhouse supply zones significantly impact forest preservation and cover a large area equivalent to entire municipalities. Over two-thirds of the study region, including most non-protected areas, falls within these zones. There is a high degree of overlap (95%) with non−CA supply zones, indicating competition for suppliers and limited expansion potential for CA. Direct and indirect suppliers are located nearby, with approximately 80% of indirect suppliers within 100 km of direct suppliers. Consequently, supply zones for both types of suppliers largely overlap. These findings demonstrate that assessing slaughterhouse deforestation risk for the entire supply chain in our study region can be achieved by mapping only the direct suppliers. This research provides valuable insights into cattle concentration, the effectiveness of zero-deforestation commitments, and the need for sustainable practices in the slaughterhouse industry. [ABSTRACT FROM AUTHOR]

The objectives of this study were to (1) investigate the association between human blood type and COVID-19 in both inpatient and longitudinal populations and (2) identify the association between blood type and severity of COVID-19 via presence of cellular biomarkers of severe infection in hospitalized individuals at our institution in South Florida. This study consisted of (1) a single-center retrospective analysis of 669 out of 2741 COVID-19-positive, screened patients seen from 1 January 2020 until 31 March 2021 at the University of Miami Emergency Department (ED) who tested positive for COVID-19 and had a documented ABO blood type and (2) a longitudinal SARS-CoV-2 immunity study ("CITY") at the University of Miami Miller School of Medicine, consisting of 185 survey participants. In an inpatient setting, blood type appeared to be associated with COVID-19 severity and mortality. Blood type O sustained less risk of COVID-19 mortality, and blood type O- demonstrated less risk of developing COVID-19 pneumonia. Inpatients with O- blood type exhibited less biomarkers of severe infection than did other blood types. In a longitudinal setting, there was no association found between blood type and SARS-CoV-2 infection. [ABSTRACT FROM AUTHOR]

The concurrent use of several medications is a common practice in the treatment of complex psychiatric conditions. One such commonly used combination is aripiprazole (ARI), an antipsychotic, and trazodone (TRZ), an antidepressant. In addition to their effects on dopamine and serotonin systems, both of these compounds are inhibitors of the 7-dehydrocholesterol reductase (DHCR7) enzyme. To evaluate the systemic and nervous system distribution of ARI and TRZ and their effects on cholesterol biosynthesis, adult mice were treated with both ARI and TRZ for 21 days. The parent drugs, their metabolites, and sterols were analyzed in the brain and various organs of mice using LC-MS/MS. The analyses revealed that ARI, TRZ, and their metabolites were readily detectable in the brain and organs, leading to changes in the sterol profile. The levels of medications, their metabolites, and sterols differed across tissues with notable sex differences. Female mice showed higher turnover of ARI and more cholesterol clearance in the brain, with several post-lanosterol intermediates significantly altered. In addition to interfering with sterol biosynthesis, ARI and TRZ exposure led to decreased ionized calcium-binding adaptor molecule 1 (IBA1) and increased DHCR7 protein expression in the cortex. Changes in sterol profile have been also identified in the spleen, liver, and serum, underscoring the systemic effect of ARI and TRZ on sterol biosynthesis. Long-term use of concurrent ARI and TRZ warrants further studies to fully evaluate the lasting consequences of altered sterol biosynthesis on the whole body. [ABSTRACT FROM AUTHOR]

Clozapine is listed as one of the most effective antipsychotics and has been approved for treating treatment-resistant schizophrenia (TRS); however, several type A and B adverse reactions, including weight gain, metabolic complications, cardiotoxicity, convulsions, and discontinuation syndromes, exist. The critical mechanisms of clinical efficacy for schizophrenia, TRS, and adverse reactions of clozapine have not been elucidated. Recently, the GABA isomer L-β-aminoisobutyric acid (L-BAIBA), a protective myokine in the peripheral organs, was identified as a candidate novel transmission modulator in the central nervous system (CNS). L-BAIBA activates adenosine monophosphate-activated protein kinase (AMPK) signalling in both the peripheral organs and CNS. Activated AMPK signalling in peripheral organs is an established major target for treating insulin-resistant diabetes, whereas activated AMPK signalling in the hypothalamus contributes to the pathophysiology of weight gain and metabolic disturbances. Clozapine increases L-BAIBA synthesis in the hypothalamus. In addition, the various functions of L-BAIBA in the CNS have recently been elucidated, including as an activator of GABA-B and group-III metabotropic glutamate (III-mGlu) receptors. Considering the expressions of GABA-B and III-mGlu receptors (localised in the presynaptic regions), the activation of GABA-B and III-mGlu receptors can explain the distinct therapeutic advantages of clozapine in schizophrenia or TRS associated with N-methyl-D-aspartate (NMDA) receptor disturbance compared with other atypical antipsychotics via the inhibition of the persistent tonic hyperactivation of thalamocortical glutamatergic transmission in the prefrontal cortex. L-BAIBA has also been identified as a gliotransmitter, and a detailed exploration of the function of L-BAIBA in tripartite synaptic transmission can further elucidate the pathophysiology of effectiveness for treating TRS and/or specific adverse reactions of clozapine. [ABSTRACT FROM AUTHOR]

Background: Recently, the role of nutraceutical compounds in the prevention of human diseases has been rapidly increasing. Here, we aim to evaluate the beneficial effect of dietary supplementation with seven active principles, i.e., lycopene, sulforaphane, silymarin, glutathione, escin, tryptophan, and green tea catechins, on human health. Methods: An extensive search of PubMed and Medline database was performed with the following keywords: "silymarin", "sulforaphane", "lycopene", "green tea catechins", "tryptophan", "glutathione" and "escin" accompanied by the keywords "supplement", "supplementation", and "nutraceutics". All preclinical and clinical trials were considered for this review. Results: One hundred and eighteen full-text articles were eligible for inclusion in this review. The papers examined presented considerable variability due to the wide heterogeneity of dosages administered, population involved, and outcomes pursued. Conclusion: Nutritional supplementation with lycopene, sulforaphane, silymarin, glutathione, escin, tryptophan, and green tea catechins appears to exert a wide range of benefits on human health, ranging from mood and cognition to cardiovascular health, fertility, metabolism, antioxidant, and anti-inflammatory capabilities, as well as potential anticancer effects. Further studies are required to better define the potential synergic effect, optimal dosage, mechanism of action, and tolerability profiles of these substances. [ABSTRACT FROM AUTHOR]

Infections with Mycoplasma gallisepticum (MG) in poultry are associated with a wide range of disease conditions, including those affecting the respiratory and reproductive systems. The purpose of this study was to endorse the more sensitive diagnostic scheme for MG infection and identify the best molecular marker for MG phylogenetic analysis using six housekeeping genes: mgc2, mraW, atpG, ugpA, DUF31196, and lgT. For these purposes, 55 poultry flocks of different species were screened using either qRT-PCR or PCR techniques analogous to conventional culturing from non-cultured and cultured swabs on PPLO broth. The rate of MG positivity was the highest when using qRT-PCR from cultured broth (89.0%) and the lowest when using conventional culturing (34.5%). Compared to qRT-PCR from broth, statistical analysis using the Roc curve in MedCalc statistical software showed that the PCR schemes (qRT-PCR from swabs and PCR from swabs and broth) performed better than conventional culturing in terms of sensitivity, accuracy, and area under the curve (AUC), suggesting that they may be more reliable schemes. Further support was added by Cohen's kappa test, showing moderate agreement between the molecular approaches. Among the six screened genes, mgc2 and mraW had the highest detection rates (69% and 65.4%, respectively). The comparative phylogenetic analysis revealed that mgc2 or atpG gene sequences distinguished MG isolates into different clades with high discriminatory power. [ABSTRACT FROM AUTHOR]

Microbiological risk associated with abiotic surfaces is one of the most important issues worldwide. Surface contaminations by pathogenic bacterial biofilms or adherent cells affect a number of sectors, including medical services, food industries, human services, and the environment. There is a need to synthesize or to set up novel biosource-based antimicrobials. Terpenes such as limonene carvacrol are usually found in essential oils and have potent antimicrobial activities. However, the direct use of these molecules is often inefficient due to their low water solubility, loss of volatile compounds, thermal degradation, oxidation, and toxicity. The organic synthesis of stable metal complexes based on terpene ligands seems to be a promising issue, since it can allow for and promote the use of terpenes and challenge the drawbacks of these molecules. Spray drying could be the most suitable method for encapsulating metal complexes based on terpene ligands to protect and enhance their activity against bacterial biofilms. The goal of this review is to discuss the microbiological risk associated with pathogenic bacterial biofilm and the organic synthesis of novel antimicrobial complexes based on terpene ligands. In addition, this review explores how to improve their bioactivities and characteristics using a formulation based on encapsulation. [ABSTRACT FROM AUTHOR]

Systematic measurements of water temperature are lacking but useful in understanding the relationship between water temperature and earthquakes. Based on the water temperature data, geological structure, borehole structure, and temperature gradient in the Jinjia well, Southwest China, we systematically analysed the water temperature changes related to earthquakes. The water temperature of the Jinjia well recorded the coseismic changes caused by the Wenchuan M7.9 and Panzhihua M6.1 earthquakes in 2008. We also found abnormal changes in the water temperature, after which moderate to strong earthquakes occurred in the surrounding region. The preseismic abnormal changes of the Jinjia well were rising-recovery (rising to a high value and continuing for a period of time before decreasing or quickly recovering), with the range of 0.007–0.07 °C. The maximum change (0.07 °C) occurred before the M7.9 Wenchuan earthquake in 2008. According to the Molchan error diagram, the most likely time for an earthquake to occur is within approximately 4 months after the water temperature exceeds the threshold temperature. In the Jinjia well, the installation depth of the temperature sensor affected the correlation between the temperature changes and earthquakes with a seismic energy density above 10−3 J·m−3. The shorter the distance between the sensor and the fault, the higher the probability of water temperature changes related to earthquakes. [ABSTRACT FROM AUTHOR]

Fluoroquinolones (FQs) are widely used drugs around the world. This is a result of their broad spectrum of antibacterial activity, high bioavailability, and known efficacy. Since they appeared on the market, their prescribing frequency has gradually increased. In 2011, FQs became the third most prescribed class of antibiotics in the US. Widespread use of these drugs resulted in an increasing number of reported side effects. In 2016, the FDA warned about significant side effects, including mental disorders in the form of anxiety, psychotic symptoms, insomnia, and depression. Psychiatric adverse reactions to FQs occur with a frequency of 1 to 4.4% and the mechanism of their formation is not entirely clear. It is believed that the antagonistic effect of FQs on the GABA receptor or interaction with the main receptor for the glutamatergic system—NMDA—is responsible for this. The paper is a structured review of 68 selected publications and the latest summary of CNS adverse effects that occur during FQ use. Prescribers should be aware of the risk factors for FQ toxicity, including elderly patients with underlying medical conditions or receiving concomitant medication; however, these adverse events may also occur in other groups of patients. [ABSTRACT FROM AUTHOR]

Simple Summary: The cells of the immune system can exert a dual effect on cancer development and growth. On the one hand, the immune system can be activated by tumor antigens and can elicit an antitumor response. On the other, the inflammatory milieu in the tumor microenvironment can trigger immune effector mechanisms that promote tumor growth. In the oral cavity, the balance between protumor and antitumor immunity can influence the progression from premalignancy to carcinoma. In this article, we review the cells and mechanisms that are thought to be the most important immune determinants of oral cancer development and progression. A still unresolved issue surrounding tumor formation concerns the role that the immune system plays in preventing the formation and progression of neoplasia, including oral squamous cell carcinoma (OSCC). Antitumor immunity has historically been seen as a critical barrier for cancer cells to develop, grow and spread, and this can be modulated using immunotherapies to achieve antitumor clinical responses. However, it has recently become clear that tumor-associated immunity, particularly the inflammatory microenvironment, has the paradoxical effect of enhancing tumorigenesis and progression. In this review, we discuss the multifaceted function of infiltrating immune cells in suppressing or promoting premalignancy and cancer. In particular, we report on the evidence supporting a role for T lymphocytes, dendritic cells, macrophages, and neutrophils in the development and progression of oral potentially malignant disorders (OPMD) and OSCC. We also draw attention to the clinical relevance of immune cell phenotypes and associated molecules for use as biomarkers and to the translatability of current research findings to improve classification systems and precision medicine in patients with OSCC. [ABSTRACT FROM AUTHOR]

This study investigates the impact of precipitation on Middle Eastern countries like Iran using precise methods such as stable isotope techniques. Stable isotope data for precipitation in Tehran were obtained from the Global Network of Isotopes in Precipitation (GNIP) station and sampled for two periods: 1961–1987 and 2000–2004. Precipitation samples were collected, stored, and shipped to a laboratory for stable isotope analyses using the GNIP procedure. Several models, including artificial neural networks (ANNs), stepwise regression, and ensemble machine learning approaches, were applied to simulate stable isotope signatures in precipitation. Among the studied machine learning models, XGboost showed the most accurate simulation with higher R2 (0.84 and 0.86) and lower RMSE (1.97 and 12.54), NSE (0.83 and 0.85), AIC (517.44 and 965.57), and BIC values (531.42 and 979.55) for 18O and 2H compared to other models, respectively. The uncertainty in the simulations of the XGboost model was assessed using the bootstrap technique, indicating that this model accurately predicted stable isotope values. Various wavelet coherence analyses were applied to study the associations between stable isotope signatures and their controlling parameters. The BWC analysis results show coherence relationships, mainly ranging from 16 to 32 months for both δ18O–temperature and δ2H–temperature pairs with the highest average wavelet coherence (AWC). Temperature is the dominant predictor influencing stable isotope signatures of precipitation, while precipitation has lower impacts. This study provides valuable insights into the relationship between stable isotopes and climatological parameters of precipitation in Tehran. [ABSTRACT FROM AUTHOR]