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Employing the unified first law of thermodynamics and the field equations of the generalized Rastall theory, we get the generalized Misner-Sharp mass of space-times for which [g.sub.tt] = [-g.sup.rr] = --f(r). The obtained result differs from those of the Einstein and Rastall theories. Moreover, using the first law of thermodynamics, the obtained generalized Misner-Sharp mass, and the field equations, the entropy of static spherically symmetric horizons are also addressed in the framework of the generalized Rastall theory. In addition, by generalizing the study to a flat Friedmann-Robertson-Walker (FRW) universe, the apparent horizon entropy is also calculated. Considering the effects of applying the Newtonian limit to the field equations on the coupling coefficients of the generalized Rastall theory, our study indicates (i) the obtained entropy-area relation is the same as that of the Rastall theory, and (ii) the Bekenstein entropy is recovered when the generalized Rastall theory reduces to the Einstein theory. The validity of the second law of thermodynamics is also investigated in the flat FRW universe. Key words: Misner-Sharp mass, FRW universe, static spherically symmetric, entropy, thermodynamic laws. Resume: En combinant l'utilisation de la premiere loi de la thermodynamique avec les equations de champ de la theorie de Rastall generalisee, nous obtenons la masse de Misner-Sharp generalisee d'espaces-temps pour lesquels [g.sub.tt] = [- g.sup.rr] = f(r). Ce resultat differe de ceux obtenus des theories d'Einstein et de Rastall. Par la suite, utilisant la premiere loi de la thermodynamique, la masse de Misner-Sharp generalisee et les equations de champ, nous evaluons l'entropie des horizons statiques et spheriquement symetriques dans le cadre de la theorie generalisee de Rastall. De plus, en generalisant l'etude a un univers << Friedmann-Robertson-Walker >> (FRW) plat, nous calculons l'entropie de l'horizon apparent. En considerant les effets de l'application de la limite newtonienne aux equations de champ sur les coefficients de couplage de la theorie generalisee de Rastall, notre etude montre que (i) la relation entropie-surface est la meme que celle de la theorie de Rastall generalisee et (ii) nous retrouvons l'entropie de Bekenstein lorsque la theorie generalisee de Rastall se reduit a la theorie d'Einstein. Nous etudions aussi la validite de la seconde loi de la thermodynamique dans un univers FRW plat. [Traduit par la Redaction] Mots-cles: masse de Misner-Sharp, univers FRW, statique et spheriquement symetrique, entropie, lois de la thermodynamique., 1. Introduction Based on curvature-matter non-minimal coupling theories, the ordinary energy-momentum conservation law is not valid [1-3], a hypothesis included in the Rastall theory [4]. In this framework, energy can [...]

Cotton is a major oil and fiber crop in many countries around the globe. The primary constraint in cotton cultivation is water scarcity. Thus, the adoption of economical and best management practices (BMP) are needed to improve productivity on a sustainable irrigation basis. We investigated the economic and agronomic benefits of sustainable irrigation [(control and partial rhizosphere drying (PRD)] and BMP (no-mulched, black plastic, wheat straw, and cotton stick) treatments, to find a combination of strategies towards a higher yield and economic return. Our findings revealed that PRD irrigation significantly increased cotton yield by 35%, improved water use efficiency (WUE) by 21%, and enhanced the economic returns of cotton production. Maximum expenditure was found in control irrigation treatment with wheat straw mulch. The control treatment, which involved full irrigation with cotton and wheat straw mulch, exhibited the highest recorded benefit-cost ratio (BCR) of 2.09:1. Conversely, the treatment that utilized PRD without the application of mulch material demonstrated the lowest BCR of 1.05:1. Maximum net field benefit (174514 Rs/ha) was recorded in a combination of control irrigation with wheat straw mulch. Among the PRD treatments, the maximum net field benefit was recorded in PRD with wheat straw mulch (89179 Rs/ha) followed by PRD with black plastic mulch (72236 Rs/ha), and minimum (84085 Rs/ha) net field benefit was recorded in PRD with cotton sticks mulch. The results showed that the combination of sustainable irrigation with BMP is a reliable strategy to increase WUE and economic gains to meet sustainable development goals in the era of global warming, climate change, and water crisis. [ABSTRACT FROM AUTHOR]

A Wingsuit is a Skydiving Jumpsuit that generates more lift for longer flights. This study examined the effects of side slip angles on a beginner wingsuit at 106 Reynolds number. Experimental tests were determined by using the length of the model scale at angles of attack ranging from 0° to 40° and sideslip angles of up to 20°. Force and moment coefficients were analyzed using variations in angles of attack and sideslip. Despite the absence of significant effects of sideslip angles on the lift and drag coefficients, side force and rolling/yawing moments were highly nonlinear. Flow structure visualization and numerical simulation show that surface stalls only occur on the lower side when slip angles are lower. In individual aviation sports, wingsuits are more advantageous when they have less sideslip. With Tuft visualization on the wingsuit model, the best aerodynamic coefficient under different flight conditions was determined by comparing the Response Surface Methodology performance under different flight conditions. [ABSTRACT FROM AUTHOR]

BACKGROUND AND OBJECTIVE: Breast cancer is the most common cancer in women and the leading cause of cancer death in women worldwide. The ERBB4 gene, a member of the tyrosine kinase family, has been identified as both a tumor suppressor and an oncogene in breast cancer. In this study, the association between rs1972820G>A polymorphism of ERBB4 gene and the risk of breast cancer in northwestern Iran was investigated. METHODS: This case-control study was performed on 89 women with breast cancer and 98 healthy women with no family history of cancer. Clinical characteristics of patients included age (less than, greater than or equal to 49 years and unknown), involved side (right, left, both and unknown), type of tumor (ILC, IDC, other types and unknown), tumor grade (I, II or III), tumor size (T1, T2, T3 and unknown) and lymph node involvement (N0, N1, N2, N3 and unknown). Single nucleotide polymorphisms were examined by TETRA-ARMS-PCR technique. FINDINGS: The genotypic distribution of sick and healthy individuals was 66% and 56% for AA genotype, 9% and 6% for GG genotype and 25% and 38% for AG genotype, respectively. The frequency of Allele A was 147 and 140 and the frequency of G Allele was 49 and 38 in patients and controls, respectively (p>0.05). CONCLUSION: The findings of this study showed that there is no significant relationship between genotypic and allelic distribution of rs1972820 polymorphism of ERBB4 gene with increased risk of breast cancer and clinical features of patients in northwestern Iran. [ABSTRACT FROM AUTHOR]

This paper presents analysis and optimization of turbine bade cooling systems. Since the temperature of combustion gases is very high sometimes reaching 2400 K, the turbine blade cannot sustain the resulting thermal stress. Moreover, for higher efficiency for advanced gas turbines, increase of inlet temperature is needed. Common blade cooling methods are film cooling, convection cooling, impingement cooling and combined cooling. In this paper, a numerical solution of the thermal and flow fields in film cooling technique on the AGTB expand symmetrical turbine blade was obtained and the results were validated with experimental data. Then the turbine blade geometry was changed and two combined cooling (impingement/convection cooing and impingement/film cooling) techniques were evaluated. The low Reynolds number k-ε turbulence model (AKN) was used for the turbulent flow simulations at various blowing ratios for two blade thicknesses. Comparisons of the results between the available experimental and numerical data showed that the AKN model is capable of predicting the turbulent flow and heat transfer in turbine blade cooling. Combined techniques (impingement/convection cooling and impingement/film cooling) were also carried out and more cooling effectiveness and uniform temperature distribution were found than film cooling method only. [ABSTRACT FROM AUTHOR]

Highlights: [•] The fabrication methods and applications of super-liquid-repellent surfaces were reviewd. [•] The fundamental theories and characterization methods of non-wettable surfaces were described. [•] The underwater superoleophobic surfaces were also presented. [•] The surfaces with switchable wettability were also summerized. [ABSTRACT FROM AUTHOR]

Background: Streptococcus pneumoniae, as an important human pathogen, is a leading cause of serious infections (e.g., sepsis, pneumonia and meningitis). Nasopharyngeal colonization is often the first step in the development of pneumococcal infections. The aim of this study was to determine the prevalence of S. pneumoniae serotypes in the nasopharynx of students in Kashan and its related risk factors. Materials and Methods: This cross-sectional study was conducted on 1289 students in Kashan from November 2011 to December 2012. Demographic and clinical data were collected from patients using a questionnaire. Samples were cultured on a selective media. Moreover, S. pneumoniae strains were identified using gram staining, detecting alpha hemolysis, catalase, optochin susceptibility and bile solubility tests. Results: One-hundred eighty one out of 1289 (14%) students were carriers for nasopharyngeal S. pneumoniae. There was a significant correlation between sex, age, previous respiratory infections, asthma, runny nose and previous hospitalization with an increased rate of the pneumococcal carriers. Conclusion: According to the high prevalence of pneumococcal carriers and a significant correlation between increased rates of colonization and sex, age, previous respiratory infections, asthma, runny nose and previous hospitalization, applying preventive strategies such as student vaccination seems to be necessary. [ABSTRACT FROM AUTHOR]

A non-isothermal transient model has been developed to simulate the reduction process and thermal behaviour of a porous wustite pellet undergoing chemical reactions with syngas, a mixture of hydrogen, carbon monoxide, water vapour and carbon dioxide. The model describes the chemical reaction itself, the mass equation for each gaseous species and heat equation within the pellet. For solution of the governing equations, a computational fluid dynamic approach as a fully implicit formulation of the finite volume method was applied. The model has then been validated by comparison with experimental data from the literature. Pellet porosity, diameter, gas composition and temperature are all shown to influence wustite reduction. [ABSTRACT FROM AUTHOR]

Channel optimized multiple description (MD) vector quantization with symbol-based turbo codes are proposed, where the decoder exploits both nonuniformity of descriptions and their dependencies. The joint source channel coding strategy is devised by setting an entropy constraint for quantizer design, which together with the MD index assignment (IA), control the level of redundancy at the MD source coder output. This is in turn exploited by the source and channel decoders for robust transmission in presence of noise and packet loss. At the source coder, the IA is designed for an M-description vector quantizer using an efficient simulated annealing algorithm. Various numerical results and comparisons are provided to investigate the effect of different system and design parameters on the performance. The results specifically indicate improved performance in comparison to the prior art, and also in multiple input multiple output communications. [ABSTRACT FROM PUBLISHER]

A mathematical time-dependent and isothermal model based on the grain model has been developed to simulate the kinetic and thermal behaviors of a porous iron oxide pellet undergoing chemical reactions with a mixture of hydrogen, carbon monoxide, carbon dioxide and water vapor. Its novelty consists in fact that it can deal with a multi-species reducing gas and oxide pellet. In spite of previous models in which the pure reductant was applied as reducing gas, this model can indicate an actual view of pellet reduction including the effects of reducing gas utility and reducing gas ratio. A finite volume fully implicit technique was applied for solving the governing equations. The model has been validated by comparing with experimental results from the literature. Finally, the effects of reducing gas parameters including gas ratio, gas utility, temperature, and pellet characteristics such as diameter, porosity and tortuosity factor on the rate of reduction have been investigated. [ABSTRACT FROM AUTHOR]

This study aims to assess global experience on agricultural water management under different scenarios. The results showed that trend of permanent crops to cultivated area, human development index (HDI), irrigation water requirement, and percent of total cultivated area drained is increasing and trend of rural population to total population, total economically active population in agriculture to total economically active population, value added to gross domestic production (GDP) by agriculture, and the difference between national rainfall index (NRI) and irrigation water requirement is decreasing. The estimating of area equipped for irrigation in 2035 and 2060 were studied acc. to the three scenarios: I - the values of the main indices would be changed by the same slope of the past half of century, II and III - the slopes would be decreased by 30% and 50% respectively. The minimum and maximum values of pressure on renewable water resources by irrigation, are related to the third and first scenarios by 2035 (6.1%) and 2060 (9.2%), respectively.

This study compares the impacts of different factors on agricultural water management in the Americas in the last 50 years. The number of 18 indexes (as the main and sub-main indexes) was selected to assess agricul- tural water management based on their importance and other indexes were not studied due to lack of adequate data. Changes in the main indexes in 2011 showed that concurrent values across regions varied according to the nature of the indexes and conditions of the countries. In the next step, the value of area equipped for irrigation/ cultivated area (10th index) was estimated using the other main indexes. As a result, a list of strengths and weakness for agricultural water management in the Americas in the last 50 years was created. However, The only way to meet sustainable development is to learn from past expe- riences for the improvement of agricultural water man- agement. The desirability of condition for agricultural water management is difficult for Central America (except Belize, which presents a fair status) and it is less than 40% for Greater Antilles (with the exception of Dominican Republic 55%). Guyana is the best country for agricultural water management because its desirability of condition (72%) is more than all the countries in Americas.

Oxidative stress plays an important role in the occurrence of neurodegenerative diseases. Previous studies indicate a strong connection between oxidative stress, inappropriate activation of the p38 MAPK signaling pathway, and the pathogenesis of neurodegenerative diseases. Although antioxidant therapy is a valid strategy to alleviate these problems, the most important limitation of this approach is the ineffectiveness of drug administration due to the limited permeability of the BBB. Therefore, BBB-penetrating p38 MAPK modulators with proper antioxidant capacity could be useful in preventing/reducing the complications of neurodegenerative disorders. The current manuscript aims to review the therapeutic capabilities of some recently reviewed naturally occurring p38 MAPK inhibitors in the management of neurodegenerative problems such as Alzheimer's disease. In data collection, we tried to use more recent studies published in high-quality journals indexed in databases Scopus, Web of Science, PubMed, and so on, but no specific time frame was considered due to the nature of the study. Our evaluations indicate that natural compounds tanshinones, protoberberines, pinocembrin, osthole, rhynchophylline, oxymatrine, schisandrin, piperine, paeonol, ferulic acid, 6-gingerol, obovatol, and trolox have significant potential for use as supplements/adjuvants in the reduction of neurodegenerative-related problems. Our findings emphasize the usefulness of BBB-penetrating phytochemicals with p38 MAPK modulatory activity as potential therapeutic options against neurodegenerative disorders. Of course, the proper use of these compounds depends on considering their toxicity/safety profile and pharmacokinetic characteristics as well as the clinical conditions of users., (© 2024 John Wiley & Sons Ltd.)

Indoleamine 2,3-dioxygenase (IDO) and tryptophan 2,3-dioxygenase (TDO) are attractive drug targets for cancer immunotherapy. After disappointing results of the epacadostat as a selective IDO inhibitor in phase III clinical trials, there is much interest in the development of the TDO selective inhibitors. In the current study, several data analysis methods and machine learning approaches including logistic regression, Random Forest, XGBoost and Support Vector Machines were used to model a data set of compounds retrieved from ChEMBL. Models based on the Morgan fingerprints revealed notable fragments for the selective inhibition of the IDO, TDO or both. Multiple fragment docking was performed to find the best set of bound fragments and their orientation in the space for efficient linking. Linking the fragments and optimization of the final molecules were accomplished by means of an artificial intelligence generative framework. Finally, selectivity of the optimized molecules was assessed and the top 4 lead molecules were filtered through PAINS, Brenk and NIH filters. Results indicated that phenyloxalamide, fluoroquinoline, and 3-bromo-4-fluroaniline confer selectivity towards the IDO inhibition. Correspondingly, 1-benzyl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione was found to be an integral fragment for the selective inhibition of the TDO by constituting a coordination bond with the Fe atom of heme. In addition, furo[2,3-c]pyridine-2,3-diamine was found as a common fragment for inhibition of the both targets and can be used in the design of the dual target inhibitors of the IDO and TDO. The new fragments introduced here can be a useful building blocks for incorporation into the selective TDO or dual IDO/TDO inhibitors., Competing Interests: Declaration of competing interest All authors declare that they have no potential conflicts of interest., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Chromium (Cr) toxicity hampers ornamental crops' growth and post-harvest quality, especially in cut flower plants. Nano-enabled approaches have been developing with phenomenal potential towards improving floricultural crop production under heavy metal-stressed conditions. The current pot experiment aims to explore the ameliorative impact of silicon nanoparticles (Si-NPs; 10 mM) and indole butyric acid (IBA; 20 mM) against Cr stress (0.8 mM) in Freesia refracta . The results showed that Cr stress significantly reduced morphological traits, decreased roots-stems biomass, abridged chlorophyll (14.7%) and carotenoid contents (27.2%), limited gas exchange attributes (intercellular CO 2 concentration ( Ci ) 24.8%, stomatal conductance ( gs ) 19.3% and photosynthetic rate ( A ) 28.8%), condensed proline (39.2%) and total protein (40%) contents and reduced vase life (15.3%) of freesia plants by increasing oxidative stress. Contrarily, antioxidant enzyme activities, MDA and H 2 O 2 levels, and Cr concentrations in plant parts were remarkably enhanced in Cr-stressed plants than in the control. However, foliar supplementation of Si-NPs + IBA (combined form) to Cr-stressed plants increased defense mechanism and tolerance as revealed by improved vegetative and reproductive traits, increased biomass, photosynthetic pigments (chlorophyll 30.3%, carotenoid 57.2%) and gaseous exchange attributes ( Ci 33.3%, gs 25.6%, A 31.1%), proline (54.5%), total protein (55.1%), and vase life (34.9%) of metal contaminated plants. Similarly, the improvement in the activities of peroxidase, catalase, and superoxide dismutase was recorded by 30.8%, 52.4%, and 60.8%, respectively, compared with Cr-stressed plants. Meanwhile, MDA (54.3%), H 2 O 2 (32.7%) contents, and Cr levels in roots (43.3), in stems (44%), in leaves (52.8%), and in flowers (78.5%), were remarkably reduced due to combine application of Si-NPs + IBA as compared with Cr-stressed nontreated freesia plants. Thus, the hypothesis that the synergistic application of Si-NPs + IBA will be an effective approach in ameliorating Cr stress is authenticated from the results of this experiment. Furthermore, the study will be significant since it will demonstrate how Si-NPs and IBA can work synergistically to combat Cr toxicity, and even when added separately, they can improve growth characteristics both under stressed and un-stressed conditions., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2024 Ahsan, Radicetti, Jamal, Ali, Sajid, Manan, Bakhsh, Naeem, Khan and Valipour.)

During the last two decades, many p38α mitogen-activated protein kinase (p38α MAPK) inhibitors have been developed and tested in preclinical/clinical studies for the treatment of various disorders, especially problems with the origin of inflammation. Previous studies strongly suggest the involvement of the p38α MAPK pathway in the pathogenesis of neurodegenerative disorders. Despite the significant progress made in this field, so far no studies have focused on p38α MAPK inhibitors that have the capability to be used for the treatment of neurodegenerative disorders. In the present review, we evaluated a wide range of well-known p38α MAPK inhibitors (more than 140 small molecules) by measuring key physicochemical parameters to identify those capable of successfully crossing the blood-brain barrier (BBB). As a result, we identify about 50 naturally occurring and synthetic p38α MAPK inhibitors with high potential to cross the BBB, which can be further explored in the future for the treatment of neurodegenerative disorders. In addition, a detailed analysis of the previously released X-ray crystal structure of the inhibitors in the active site of the p38α MAPK enzyme revealed that some residues such as Met109 play a critical role in the occurrence of effective interactions by constructing strong H-bonds. This study can encourage scientists to focus more on the design, production, and biological evaluation of new central nervous system (CNS)-active p38α MAPK inhibitors in the future., (© 2023. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)

Drought stress (DS) is a significant abiotic stress that limits agricultural productivity worldwide. In semi-arid climates, one potential solution to alleviate the deleterious effects of drought is the use of soil amendments such as nanoparticles. The current research was conducted out to probe the sway of drought at critical growth stages (CGS) of wheat crop (D 0 : Control, D 1 : Drought at tillering stage, and D 2 : Drought at anthesis stage) and the application of Cu-nanoparticles (T 0 : 0 mg L -1 , T 1 : 300 mg L -1 , T 2 : 700 mg L -1 , and T 3 : 950 mg L -1 ) in order to improve drought resilience. Results of the study revealed that DS considerably decreased the wheat growth and yield during CGS. However, Cu-nanoparticles application alleviated the detrimental backlash of DS and led to improvements in various aspects of wheat growth and yield, including plant height, spike length, 1000 grain weight, stomatal conductance, leaf chlorophyll content, water use efficiency, leaf turgor potential, relative water content, and ultimately the grain yield. The use of principal component analysis allowed us to integrate and interpret the diverse findings of our study, elucidating the impact of Cu-nanoparticle treatment on wheat growth and yield under drought. Overall, the study concluded that DS during the anthesis stage had the most significant negative impact on crop yield. However, applying Cu-nanoparticles at the rate of 300 mg L -1 proved to be an effective strategy for improving crop productivity by reducing the harmful effects of drought., (© 2024. The Author(s).)

Hepatocellular carcinoma is the most common type of primary liver cancer. However, multidrug resistance (MDR) is a major obstacle to the effective chemotherapy of cancer cells. This report documents the rational design, synthesis, and biological evaluation of a novel series of triazolotriazines substituted with CH 2 NH-linked pyridine for use as dual c-Met/MDR inhibitors. Compound 12g with IC 50 of 3.06 μM on HepG2 cells showed more potency than crizotinib (IC 50  = 5.15 μM) in the MTT assay. In addition, 12g inhibited c-Met kinase at a low micromolar level (IC 50  = 0.052 μM). 12g significantly inhibited P-gp and MRP1/2 efflux pumps in both cancerous HepG2 and BxPC3 cells starting from the lower concentrations of 3 and 0.3 µM, respectively. 12g did not inhibit MDR1 and MRP1/2 in noncancerous H69 cholangiocytes up to the concentration of 30 and 60 µM, respectively. Current results highlighted that cancerous cells were more susceptible to the effect of 12g than normal cells, in which the inhibition occurred only at the highest concentrations, suggesting a further interest in 12g as a selective anticancer agent. Overall, 12g, as a dual c-Met and P-gp/MRP inhibitor, is a promising lead compound for developing a new generation of anticancer agents., (© 2024 Deutsche Pharmazeutische Gesellschaft.)

Drought stress is a worldwide threat to the productivity of crops, especially in arid and semi-arid zones of the world. In the present study, the effect of selenium (Se) seed priming on the yield of quinoa under normal and drought conditions was investigated. A pot trial was executed to enhance the drought tolerance in quinoa by Se seed priming (0, 3, 6, and 9 mg Se L -1 ). The plants were exposed to water stress at three different growth stages of quinoa, viz. multiple leaf, flowering, and seed filling. It was noticed that drought significantly affected the yield components of quinoa, however, Se priming improved the drought tolerance potential and yield of quinoa by maintaining the plant water status. Se priming significantly increased main panicle length (20.29%), main panicle weight (26.43%), and thousand grain weight (15.41%) as well as the gas exchange parameters (transpiration rate (29.74%), stomatal conductance (35.29%), and photosynthetic rate (28.79%), total phenolics (29.36%), leaf chlorophyll contents (35.97%), water relations (leaf relative water contents (14.55%), osmotic potential (10.32%), water potential (38.35%), and turgor potential (31.37%), and economic yield (35.99%) under drought stress. Moreover, Se priming markedly improved grain quality parameters i.e., phosphorus, potassium, and protein contents by 21.28%, 18.92%, and 15.04%, respectively. The principal component analysis connected the various study scales and showed the ability of physio-biochemical factors to describe yield fluctuations in response to Se seed priming under drought conditions. In conclusion, a drought at the seed-filling stage has a far more deleterious impact among other critical growth stages and seed priming with Se (6 mg L -1 ) was found more effective in alleviating the detrimental effects of drought on the grain yield of quinoa., (© 2024. The Author(s).)

The pollution of soil and aquatic systems by inorganic and organic chemicals has become a global concern. Economical, eco-friendly, and sustainable solutions are direly required to alleviate the deleterious effects of these chemicals to ensure human well-being and environmental sustainability. In recent decades, biochar has emerged as an efficient material encompassing huge potential to decontaminate a wide range of pollutants from soil and aquatic systems. However, the application of raw biochars for pollutant remediation is confronting a major challenge of not getting the desired decontamination results due to its specific properties. Thus, multiple functionalizing/modification techniques have been introduced to alter the physicochemical and molecular attributes of biochars to increase their efficacy in environmental remediation. This review provides a comprehensive overview of the latest advancements in developing multiple functionalized/modified biochars via biological and other physiochemical techniques. Related mechanisms and further applications of multiple modified biochar in soil and water systems remediation have been discussed and summarized. Furthermore, existing research gaps and challenges are discussed, as well as further study needs are suggested. This work epitomizes the scientific prospects for a complete understanding of employing modified biochar as an efficient candidate for the decontamination of polluted soil and water systems for regenerative development., (© 2024. The Author(s).)

Berberine is a well-known phytochemical with significant antiviral activity against a wide range of viruses. Due to having a unique backbone consisting of four interconnected rings, it can be used as a platform for the design and development of novel semisynthetic antiviral agents. The question here is whether novel broad-spectrum antiviral drugs with enhanced activity and toxicity potential can be obtained by attempting to modify the structure of this privileged lead compound. The present study aims to review the results of recent studies in which berberine and its close analogues (protoberberine alkaloids) have been used as starting materials for the production of new semisynthetic antiviral structures. For this purpose, relevant studies published in high-quality journals indexed in databases such as Scopus, Web of Science, PubMed, etc. in the time frame of 2017 to 2023 were collected. Our selection criterion in the current review focuses on the studies in which protoberberines were used as starting materials for the production of semisynthetic agents with antiviral activity during the indicated time period. Correspondingly, studies were identified in which semisynthetic derivatives with significant inhibitory activity against a wide range of viruses including human immunodeficiency virus (HIV), enterovirus 71 (EV71), zika virus (ZIKV), influenza A/B, cytomegalovirus (CMV), respiratory syncytial virus (RSV), and coxsackieviruses were designed and synthesized. Our conclusion is that, despite the introduction of diverse semisynthetic derivatives of berberine with improved activity profiles compared to the parent natural leads, sufficient derivatization has not been done yet and more studies are needed., Competing Interests: The authors declare no competing financial interest., (© 2023 American Chemical Society.)

The judicious use of crop input is of prime importance for achieving a considerable output with a low-cost input. A two-year field experimentation was executed to assess the effect of varying polymer-coated single super phosphate (SSP) regimes on the yield and quality of sugarcane under differential water regimes. A two-factor study was executed under a randomized complete block design with a split-plot arrangement. The CPF-249 sugarcane variety was planted during the 2019-2020 period and the 2020-2021 period. The experiment consisted of four levels of polymer-coated SSP, i.e., control, 90, 110, and 130 kg ha -1 , and three water regimes, which consisted of a number of irrigations, i.e., 18 irrigations, 15 irrigations, and 12 irrigations. Moreover, the water regimes were kept in the main plot, whereas the polymer-coated supplement was allocated in a subplot and replicated thrice. The data on the yield components and sugar-related traits were recorded during both years of study, and the treatment means were differentiated using an LSD test at a 95% confidence interval. Summating the findings of this study, a significant variation was revealed under the subject levels of both factors. Statistically, a 110 kg ha -1 polymer-coated SSP dose, along with 18 irrigations, declared the highest millable canes, stripped cane yield, and unstripped cane yield, followed by the 130 kg ha -1 treatment. Additionally, the highest pol% and cane sugar recovery % were recorded under 12 irrigations along with 130 kg ha -1 during both years. Similarly, the °Brix value was also significantly affected by 12 irrigations when 110 kg ha -1 of polymer-coated SSP was used. The unstripped cane yield had a strong positive correlation with the stripped cane yield, millable canes, and the number of internodes. Moreover, the commercial cane sugar % resulted in a strong positive correlation with the pol%, whereas the cane sugar recovery % revealed a strong positive correlation with the pol% and commercial cane sugar %.

Ongoing viral research, essential for public health due to evolving viruses, gains significance owing to emerging viral infections such as the SARS-CoV-2 pandemic. Marine and plant alkaloids show promise as novel potential pharmacological strategies. In this narrative review, we elucidated the potential of tylophorine and lycorine, two naturally occurring plant-derived alkaloids with a shared benzoindolizidine scaffold, as antiviral agents to be potentially harnessed against respiratory viral infections. Possible structure-activity relationships have also been highlighted. The substances and their derivatives were found to be endowed with powerful and broad-spectrum antiviral properties; moreover, they were able to counteract inflammation, which often underpins the complications of viral diseases. At last, their anticancer properties hold promise not only for advancing cancer research but also for mitigating the oncogenic effects of viruses. This evidence suggests that tylophorine and lycorine could effectively counteract the pathogenesis of respiratory viral disease and its harmful effects. Although common issues about the pharmacologic development of natural substances remain to be addressed, the collected evidence highlights a possible interest in tylophorine and lycorine as antiviral and/or adjuvant strategies and encourages future more in-depth pre-clinical and clinical investigations to overcome their drawbacks and harness their power for therapeutic purposes.

P38 mitogen-activated protein kinase (p38 MAPK) signaling pathway is closely related to severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) replication and hyperinflammatory responses in coronavirus disease 2019 (COVID-19). Therefore, blood-brain barrier-penetrating p38 MAPK inhibitors have good potential for the treatment of central nervous system (CNS) complications of COVID-19. The aim of the present study is the characterization of the therapeutic potential of tanshinone IIA and pinocembrin for the treatment of CNS complications of COVID-19. Studies published in high-quality journals indexed in databases Scopus, Web of Science, PubMed, and so forth were used to review the therapeutic capabilities of selected compounds. In continuation of our previous efforts to identify agents with favorable activity/toxicity profiles for the treatment of COVID-19, tanshinone IIA and pinocembrin were identified with a high ability to penetrate the CNS. Considering the nature of the study, no specific time frame was determined for the selection of studies, but the focus was strongly on studies published after the emergence of COVID-19. By describing the association of COVID-19-induced CNS disorders with p38 MAPK pathway disruption, this study concludes that tanshinone IIA and pinocembrin have great potential for better treatment of these complications. The inclusion of these compounds in the drug regimen of COVID-19 patients requires confirmation of their effectiveness through the conduction of high-quality clinical trials., (© 2023 John Wiley & Sons Ltd.)

The appearance of several coronavirus pandemics/epidemics during the last two decades (SARS-CoV-1 in 2002, MERS-CoV in 2012, and SARS-CoV-2 in 2019) indicates that humanity will face increasing challenges from coronaviruses in the future. The emergence of new strains with similar transmission characteristics as SARS-CoV-2 and mortality rates similar to SARS-CoV-1 (∼10% mortality) or MERS-CoV (∼35% mortality) in the future is a terrifying possibility. Therefore, getting enough preparations to face such risks is an inevitable necessity. The present study aims to review the drug achievements and challenges in the fight against SARS-CoV-2 with a combined perspective derived from pharmacology, pharmacotherapy, and medicinal chemistry insights. Appreciating all the efforts made during the past few years, there is strong evidence that the desired results have not yet been achieved and research in this area should still be pursued seriously. By expressing some pessimistic possibilities and concluding that the drug discovery and pharmacotherapy of COVID-19 have not been successful so far, this short essay tries to draw the attention of responsible authorities to be more prepared against future coronavirus epidemics/pandemics., Competing Interests: The authors declare no competing financial interest., (© 2023 American Chemical Society.)

Background: Cardiovascular diseases are the first leading cause of mortality in the world. Practical guidelines recommend an accurate estimation of the risk of these events for effective treatment and care. The UK Prospective Diabetes Study (UKPDS) has a risk engine for predicting CHD risk in patients with type 2 diabetes, but in some countries, it has been shown that the risk of CHD is poorly estimated. Hence, we assessed the external validity of the UKPDS risk engine in patients with type 2 diabetes identified in the national diabetes program in Iran., Methods: The cohort included 853 patients with type 2diabetes identified between March 21, 2007, and March 20, 2018 in Lorestan province of Iran. Patients were followed for the incidence of CHD. The performance of the models was assessed in terms of discrimination and calibration. Discrimination was examined using the c-statistic and calibration was assessed with the Hosmer-Lemeshow χ2 statistic (HLχ2) test and a calibration plot was depicted to show the predicted risks versus observed ones., Results: During 7464.5 person-years of follow-up 170 first Coronary heart disease occurred. The median follow-up was 8.6 years. The UKPDS risk engine showed moderate discrimination for CHD (c-statistic was 0.72 for 10-year risk) and the calibration of the UKPDS risk engine was poor (HLχ2 = 69.9, p < 0.001) and the UKPDS risk engine78% overestimated the risk of heart disease in patients with type 2 diabetes identified in the national diabetes program in Iran., Conclusion: This study shows that the ability of the UKPDS Risk Engine to discriminate patients who developed CHD events from those who did not; was moderate and the ability of the risk prediction model to accurately predict the absolute risk of CHD (calibration) was poor and it overestimated the CHD risk. To improve the prediction of CHD in patients with type 2 diabetes, this model should be updated in the Iranian diabetic population., Competing Interests: Competing interestsThe authors declare that they have no competing interests., (© The Author(s), under exclusive licence to Tehran University of Medical Sciences 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.)

Previous studies indicated that natural-based chalcones have significant inhibitory effects on the coronavirus enzymes 3CLpro and PLpro as well as modulation of some host-based antiviral targets (HBATs). In this study, a comprehensive computational and structural study was performed to investigate the affinity of our compound library consisting of 757 chalcone-based structures (CHA-1 to CHA-757) for inhibiting the 3CLpro and PLpro enzymes and against twelve selected host-based targets. Our results indicated that CHA-12 (VUF 4819) is the most potent and multi-target inhibitor in our chemical library over all viral and host-based targets. Correspondingly, CHA-384 and its congeners containing ureide moieties were found to be potent and selective 3CLpro inhibitors, and benzotriazole moiety in CHA-37 was found to be a main fragment for inhibiting the 3CLpro and PLpro. Surprisingly, our results indicate that the ureide and sulfonamide moieties are integral fragments for the optimum 3CLpro inhibition while occupying the S1 and S3 subsites, which is fully consistent with recent reports on the site-specific 3CLpro inhibitors. Finding the multi-target inhibitor CHA-12, previously reported as an LTD4 antagonist for the treatment of inflammatory pulmonary diseases, prompted us to suggest it as a concomitant agent for relieving respiratory symptoms and suppressing COVID-19 infection.

In the search for compounds that inhibit the SARS-CoV-2 after the onset of the COVID-19 pandemic, isoquinoline-containing alkaloids have been identified as compounds with high potential to fight the disease. In addition to having strong antiviral activities, most of these alkaloids have significant anti-inflammatory effects which are often manifested through the inhibition of a promising host-based anti-COVID-19 target, the p38 MAPK signaling pathway. In the present review, our pharmacological and medicinal chemistry evaluation resulted in highlighting the potential of anti-SARS-CoV-2 isoquinoline-based alkaloids for the treatment of COVID-19 patients. Considering critical parameters of the antiviral and anti-inflammatory activities, mechanism of action, as well as toxicity/safety profile, we introduce the alkaloids emetine, cephaeline, and papaverine as high-potential therapeutic agents for use in the treatment of COVID-19. Although preclinical studies confirm that some isoquinoline-based alkaloids reviewed in this study have a high potential to inhibit the SARS-CoV-2, their entry into drug regimens of COVID-19 patients requires further clinical trial studies and toxicity evaluation., (© 2023 John Wiley & Sons Ltd.)

Background: The health benefits of natural products have a long history. Chaga (Inonotus obliques) is used in traditional medicine and is an essential antioxidant for protecting the body from oxidants. Reactive oxygen species (ROS) are produced routinely due to metabolic processes. However, environmental pollution factors such as methyl tert-butyl ether (MTBE) can increase oxidative stress in the human body. MTBE is widely used as a fuel oxygenator that can harm health. The widespread use of MTBE has posed significant threats to the environment by polluting environmental resources, including groundwater. This compound can accumulate in the bloodstream by inhaling polluted air, with a strong affinity for blood proteins. The primary mechanism of MTBE's harmful effects is ROS production. The use of antioxidants may help reduce MTBE oxidation conditions. The present study proposes that biochaga, as an antioxidant, can reduce MTBE damage in the bovine serum albumin (BSA) structure., Methods and Results: This study investigated the role of different concentrations of biochaga in the structural change of BSA in the presence of MTBE by biophysical methods such as UV-Vis, fluorescence, FTIR spectroscopy, DPPH radical inhibition method, aggregation test, and molecular docking. Research at the molecular level is critical to investigate the structural change of proteins by MTBE and the protective effect of the ideal dose (2.5 µg/ml) of biochaga., Conclusion: the results of spectroscopic examinations showed that the concentration of 2.5 µg/ml of biochaga has the least destructive effect on the structure of BSA in the presence and absence of MTBE, and it can play as an antioxidant., (© 2023. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)

The unprecedented outbreak of Coronavirus Disease 2019 (COVID-19) has impacted the whole world in every aspect including health, social life, economic activity, education, and the environment. The pandemic has led to an improvement in air quality all around the world, including in Malaysia. Lockdowns have resulted in industry shutting down and road travel decreasing which can reduce the emission of Greenhouse Gases (GHG) and air pollution. This research assesses the impact of the COVID-19 lockdown on emissions using the Air Pollution Index (API), aerosols, and GHG which is Nitrogen Dioxide (NO 2 ) in Malaysia. The data used is from Sentinel-5p and Sentinel-2A which monitor the air quality based on Ozone (O 3 ) and NO 2 concentration. Using an interpolated API Index Map comparing 2019, before the implementation of a Movement Control Order (MCO), and 2020, after the MCO period we examine the impact on pollution during and after the COVID-19 lockdown. Data used Sentinel-5p, Sentinel-2A, and Air Pollution Index of Malaysia (APIMS) to monitor the air quality that contains NO 2 concentration. The result has shown the recovery in air quality during the MCO implementation which indirectly shows anthropogenic activities towards the environmental condition. The study will help to enhance and support the policy and scope for air pollution management strategies as well as raise public awareness of the main causes that contribute to air pollution., Competing Interests: Conflict of interestThe authors declare that they have no conflict of interest., (© King Abdulaziz University and Springer Nature Switzerland AG 2022, Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.)

Food security will be a substantial issue in the near future due to the expeditiously growing global population. The current trend in the agriculture industry entails the extravagant use of synthesized pesticides and fertilizers, making sustainability a difficult challenge. Land degradation, lower production, and vulnerability to both abiotic and biotic stresses are problems caused by the usage of these pesticides and fertilizers. The major goal of sustainable agriculture is to ameliorate productivity and reduce pests and disease prevalence to such a degree that prevents large-scale damage to crops. Agriculture is a composite interrelation among plants, microbes, and soil. Plant microbes play a major role in growth promotion and improve soil fertility as well. Bacillus spp. produces an extensive range of bio-chemicals that assist in plant disease control, promote plant development, and make them suitable for agricultural uses. Bacillus spp. support plant growth by N fixation, P and K solubilization, and phytohormone synthesis, in addition to being the most propitious biocontrol agent. Moreover, Bacilli excrete extracellular metabolites, including antibiotics, lytic enzymes, and siderophores, and demonstrate antagonistic activity against phytopathogens. Bacillus spp. boosts plant resistance toward pathogens by inducing systemic resistance (ISR). The most effective microbial insecticide against insects and pests in agriculture is Bacillus thuringiensis ( Bt ). Additionally, the incorporation of toxin genes in genetically modified crops increases resistance to insects and pests. There is a constant increase in the identified Bacillus species as potential biocontrol agents. Moreover, they have been involved in the biosynthesis of metallic nanoparticles. The main objective of this review article is to display the uses and application of Bacillus specie as a promising biopesticide in sustainable agriculture. Bacillus spp. strains that are antagonistic and promote plant yield attributes could be valuable in developing novel formulations to lead the way toward sustainable agriculture.

Chalcone is an interesting scaffold found in the structure of many naturally occurring molecules. Medicinal chemists are commonly interested in designing new chalcone-based structures because of having the α, β-unsaturated ketone functional group, which allows these compounds to participate in Michael's reaction and create strong covalent bonds at the active sites of the targets. Some studies have identified several natural chalcone-based compounds with the ability to inhibit the severe acute respiratory syndrome coronavirus and Middle East respiratory syndrome coronavirus proteases. A few years after the advent of the coronavirus disease 2019 pandemic and the publication of many findings in this regard, there is some evidence that suggests chalcone scaffolding has great potential for use in the design and development of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) inhibitors. Artificial placement of this scaffold in the structure of optimized anti-SARS-CoV-2 compounds can potentially provide irreversible inhibition of the viral cysteine proteases 3-chymotrypsin-like protease and papain-like protease by creating Michael interaction. Despite having remarkable capabilities, the use of chalcone scaffold in drug design and discovery of SARS-CoV-2 inhibitors seems to have been largely neglected. This review addresses issues that could lead to further consideration of chalcone scaffolding in the structure of SARS-CoV-2 protease inhibitors in the future., (© 2022 John Wiley & Sons Ltd.)

Emetine is one of the most highly potent anti-SARS-CoV-2 agents ever identified. In addition to having strong anti-SARS-CoV-2 activities, emetine has other valuable therapeutic effects such as strong anti-inflammatory and anti-arterial pulmonary hypertension (APH) properties, which are suitable for the treatment of COVID-19. Its proper concomitant therapeutic effect has led researchers to test this compound in clinical trials to combat COVID-19. However, due to the risks of cardiac complications, very low doses of emetine have been used in different studies, which may not have significant therapeutic effects. The p38 MAPK signaling pathway is strongly highlighted as an important operator in cardiac cellular damages such as disruption of cardiac fibroblast function and myopathy/cardiomyopathy. Inhibition of this pathway by appropriate inhibitors has also been considered by scientists as a promising strategy for the treatment of fatal host-related hyper-inflammatory immune responses following SARS-CoV-2 infection. Although remarkable stimulatory effects of emetine on activation of the p38 MAPK pathway have been reported in recent studies and strong evidence suggests that this pathway plays an effective role in the emetine's toxicities, it has not been discussed yet that emetine induced cellular cardiac complications may be due to the activation of this critical pathway. Considering these points could lead to the finding of strategies for applying the valuable potential of emetine in the treatment of COVID-19 at low risks.

The newly emerged coronavirus severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) that caused the COVID-19 pandemic, is the closest relative of SARS-CoV with high genetic similarity. The papain-like protease (PLpro) is an important SARS-CoV/SARS-CoV-2 nonstructural protein that plays a critical role in some infection processes such as the generation of the functional replication complex, maturation of crude polyproteins, and regulation of the host antiviral immune responses. Therefore, the research to discover SARS-CoV-2 PLpro inhibitors could be a sensible strategy to obtain therapeutic agents for the treatment of COVID-19. Aiming to find SARS-CoV/SARS-CoV-2 PLpro inhibitors, various high throughput screenings (HTS) have been performed over the past two decades. Interestingly, the result of these efforts is the identification of hit/lead compounds whose structures have one important feature in common, namely having a chalcone-amide (N-benzylbenzamide) backbone. Structure-activity relationship (SAR) studies have shown that placing an (R)-configurated methyl group on the middle carbon adjacent to the amide group creates a unique backbone called (R)-methyl chalcone-amide, which dramatically increases PLpro inhibitory potency. Although this scaffold has not yet been introduced by medicinal chemists as a specific skeleton for the design of PLpro inhibitors, structural considerations show that the most reported PLpro inhibitors have this skeleton. This review suggests the (R)-methyl chalcone-amide scaffold as a key backbone for the design and development of selective SARS-CoV-2 PLpro inhibitors. Understanding the SAR and binding mode of these inhibitors in the active site of SARS-CoV-2 PLpro can aid the future development of anti-COVID-19 agents., (Copyright © 2022 Elsevier Masson SAS. All rights reserved.)

The causative agent of coronavirus disease-2019 (COVID-19), severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), enters the host cells via an angiotensin-converting enzyme 2 (ACE2)-mediated endocytosis-dependent manner. Because ACE2 is highly expressed in the heart, SARS-CoV-2 can severely infect heart tissue and arteries, causing acute and chronic damage to the cardiovascular system. Therefore, special attention should be paid to finding appropriate agents to protect this vital system during COVID-19 treatment. Papaverine is a unique vasodilator alkaloid that is clinically used in the treatment of vasospasm. Interestingly, this compound has potent and direct effects on a wide range of viruses, and could also prevent viral exploitation mechanisms of the host cell facilities by inhibiting some cellular signaling pathways such as p38 MAPK. This pathway was recently introduced as a promising target for the treatment of COVID-19. Papaverine also has anti-inflammatory effects which is useful in combating the hyper-inflammatory phase of the COVID-19. Unlike some medications that have severe dosage-restrictions in the treatment of COVID-19 due to cardiac side effects, papaverine is recommended for use in many heart disorders. The ability of papaverine to treat COVID-19 has become more promising when the results of some extensive screenings showed the strong ability of this compound to inhibit the cytopathic effects of SARS-CoV-2 with EC 50 of 1.1 μM. Having several therapeutic effects along with desired safety profile raises this hypothesis that papaverine could be a promising compound for the suppression of SARS-CoV-2 and prevention of ischemia/vasoconstriction-related complications in COVID-19 disease, especially in patients with underlying cardiovascular diseases (CVDs)., (© 2022 Wiley Periodicals LLC.)

Vinyl chloride is a colorless gas with a pleasant odor capable of entering the body through oral or inhalation routes. Extensive studies on this compound indicated that it is a carcinogen, and Vinyl chloride exposure can result in a specific type of cancer in vinyl chloride workers. Whereas hemoglobin plays a vital role in oxygen transfer throughout the body, in a molecular aspect, the effect of vinyl chloride on human hemoglobin has not been studied. Furthermore, selenium as an antioxidant is a vital factor for the health of humans and animals. Then this research investigated the effect of the antioxidant capability of selenium at the same concentrations in blood on the interaction between vinyl chloride and hemoglobin. UV-visible, Fourier-transform infrared, chemiluminescence, and fluorescence spectroscopies were employed. The results indicated the destruction of hemoglobin structure in different concentrations of vinyl chloride. At the same time, the antioxidant effect of selenium inhibited the destructive impact of vinyl chloride on hemoglobin structure., Competing Interests: Conflict of interestThe authors declare that they have no competing interests., (© The Author(s) under exclusive licence to Korean Society of Toxicology 2022.)