Chemical Aspects Research Articles

Promising Inhibitors of Endocannabinoid Degrading Enzymes Sharing a Carbamate Scaffold.

Carbamate has been extensively used as a scaffold in the recent era of drug discovery and is a common structural motif of many approved drugs. The carbamate moiety's unique amide-ester hybrid (-O-CO-NH-) feature offers the designing of specific drug-target interactions. Despite the discovery of numerous carbamate derivatives that act on the endocannabinoid system (ECS), the development of clinically effective carbamates remains a challenge. In this review, we highlight the therapeutic potential of carbamate inhibitors of endocannabinoid degrading enzymes as a breakthrough in discovering neurotherapeutic drugs. We discuss the design strategies and medicinal chemistry aspects involved in developing carbamate-based molecular architectures that modulate the endocannabinoid signaling pathway by interfering with fatty acid amide hydrolase (FAAH), monoacylglycerol lipase (MAGL), and α/β-Hydrolase domain-containing 6 (ABHD6). Additionally, we highlight the dual activity profile of carbamates against FAAH and MAGL, FAAH and cholinesterase, and FAAH and TRPV1 channels. Furthermore, we illustrate the pharmacophores of O-functionalized carbamates and N-cyclic carbamates that are crucial for FAAH and MAGL inhibitory activities, respectively.

Site‐Selective Synthetic Modifications of the Cinchona Alkaloids

AbstractThe natural product quinine has been known to humankind for centuries, and in that time has played a pivotal role in the treatment of malaria. Quinine, and the related cinchona alkaloids, have seen widespread contemporary use across chemical and biological disciplines, owing in part to the plethora of functional groups and stereochemical information contained within their scaffold. This review focuses on site‐selective synthetic modifications of the cinchona alkaloids. Our comparative analysis may act as a ‘user manual’ for the selective functionalisation of the cinchona alkaloids, and aims to promote consideration of remarkable and lesser‐understood aspects of cinchona chemistry.

Alleviating Continuous Cropping Obstacles in Celery Using Engineered Biochar: Insights into Chemical and Microbiological Aspects

In the pursuit of environmental sustainability and food security, biochar has emerged as a promising soil conditioner to mitigate continuous cropping obstacles (CCOs). This study explored the use of engineered biochar (WP400) with high adsorption capacity for phenolic acids in celery cultivation. Using liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOF/MS) for both target and suspect analyses, along with Biolog EcoPlate™ to track the functional diversity of soil bacteria, the study examined chemical and microbiological interactions at varying WP400 application rates. WP400 enhanced celery growth, reduced disease severity, and adsorbed p-coumaric acid (COU), a potential autotoxin. Additionally, other potential allelochemicals, predominantly fatty acid-related, were identified, suggesting a broader role for fatty acids in allelopathy. WP400 also influenced soil bacterial carbon utilization and altered microbial communities. However, higher WP400 doses (0.8% w/w) may not be beneficial for celery growth and reduced bacterial metabolic potential, indicating limitations to its effectiveness. Proper application of WP400 provides a sustainable solution for alleviating continuous cropping issues, promoting both environmental sustainability and agricultural development.

The Role of Herbivore-Induced Plant Volatiles in Tri-trophic Interactions and Pest Management

In agricultural ecosystems, the tri trophic interactions between plants, herbivores and their natural enemies are crucial for maintaining ecological balance and crop health. Natural enemies of pests predominantly regulate herbivore populations, emphasizing the importance of these interactions. Plants exhibit both induced and constitutive defences, Plants use herbivore-induced plant volatiles (HIPVs) as a key mechanism to attract natural enemies that defend them against the herbivores. HIPVs are chemical signals emitted in response to herbivore damage and can attract predators and parasitoids, indirectly they protect the plants. This review explores the role of HIPVs in plant defense, focusing on their evolutionary, chemical and practical aspects. with HIPVs acting as indirect defenses by recruiting natural enemies. The interaction between physical traits, chemical signals and semiochemicals, including volatile organic compounds (VOCs), significantly influences these interactions. Olfactometers, such as the Y-tube and four-arm designs, have been proven to be pivotal in studying insect responses to these volatile compounds, providing insights into their behavior and effectiveness in pest management. Despite advances in understanding HIPVs, research indicates variability in volatile emissions and their effectiveness across different herbivore species and developmental stages. Further studies are needed to improve the specificity of HIPV research, incorporating field-based analyses to capture natural environmental complexities. Future research should focus on optimizing HIPV applications in pest management, understanding spatial and temporal scales of HIPV interactions, and addressing the influence of environmental factors on HIPV efficacy.

Dual Benefits of Tirzepatide: Anti-Obesity and Antidiabetic Efficacy: A Mini review

Background: Diabetes mellitus and obesity are two linked conditions that have reached epidemic proportions globally. According to a study published in 2023 by the Indian Council of Medical Research (ICMR) , India has 10.1 crore people with diabetes. The prevalence of obesity, especially abdominal obesity is increasing continuously due to the intake of foods that are high in carbohydrates and processed foods. Obesity can cause inflammation, insulin resistance, and pancreas overload which lead to diabetes mellitus. Main Body: The present - review focuses on the medicinal chemistry, organic chemistry and pharmacological aspects of trizepatide. Trizepatide is a new chemical moiety that shows dual agonist activity of glucagon-like peptide-1(GLP-1) receptors and glucose-dependent insulinotropic polypeptide(GIP).Trizepatide is a synthetic peptide that constitutes 39 amino acids. Trizepatide has a potent hypoglycemic effect , and it has antiobesity effects because of its adverse effect. Conclusion : Trizepatide's capacity to lower blood sugar and promote weight loss makes it an effective treatment for these conditions. Further research will confirm its safety and long-term advantages. Keywords : Trizepatide , Diabetes mellitus , Obesity, Hypoglycaemia

Experimental and computational investigations of new organotin(IV) complexes derived from hydrazone ligands: Synthesis, structural analysis and biological assessment

In this article, we have presented the synthesis, structural analysis, and biological assessments of twelve new diorganotin(IV) complexes (derived from heterocyclic hydrazone ligands through condensation reaction between 9-formyl-8-hydroxyjulolidine and aromatic hydrazide derivatives) to discover potent biological agents. The synthesized compounds have been thoroughly characterized using numerous spectroscopic and physicochemical methods, including (1H, 13C and 119Sn) NMR, FT-IR, mass spectrometry, powder XRD and SEM. These scrutinizes indicate that complexes exhibited a pentacoordinated geometry, coordinating through azomethine nitrogen atom, enolic oxygen atom, phenolic oxygen atom and carbon atoms of alkyl/aryl groups of organotin derivatives. DFT (Density functional theory) studies were conducted at the B3LYP/LanL2DZ/6-311G level of hypothesis to investigate the quantum chemical aspects of specified compounds. These properties were facilitated through analyses of charge distribution and molecular orbitals. The antioxidant effectiveness of the prepared compounds was examined employing the DPPH assay and the results revealed that complex 7 exhibited strong antioxidant potential, having an IC50 value of 2.3 µM. Moreover, the prepared compounds were assessed for their effectiveness against four bacterial (B. cereus, B. subtilis, P. aeruginosa, E. coli) as well as two fungal strains (C. albicans and A. niger) using serial dilution approach. Complexes 7, 11, 14 and 15 having MIC values ranging from 0.0051-0.0048 µmol/mL have highest antimicrobial potency equivalent to reference drugs, Fluconazole (MIC = 0.0051 µmol/mL) and Ciprofloxacin (MIC = 0.0048 µmol/mL).

Chemical and Physical Aspects of Soil Health Resulting from Long-Term No-Till Management

The aim of this study was to compare the long-term effects of conventional tillage (CT) and no-till (NT) systems on the main soil properties that determine soil health. The research was conducted in a field experiment established in 1975 in Chylice, central Poland, at the WULS-SGGW Experimental Station Skierniewice. Soil samples collected from 0–10 and 10–20 cm of the mollic horizon of the Phaeozem were analysed for total organic carbon (TOC) content, fractional composition of SOM and spectroscopic properties of humin, soil structural stability, soil water retention characteristics and soil water repellency (SWR). The results showed that NT practice almost doubled the TOC in the 0–10 cm layer. However, optical parameters of humin indicated that NT management promoted the formation of humin with a lower molecular weight and lower degree of condensation of aromatic structures. In the NT 0–10 cm layer, a significant increase in the number of water-resistant macroaggregates was found. In the 0–10 cm layer, the water capacity increased by 9%, 18%, 22% and 26% compared to CT at (certain soil suction) pF values of 0.0, 2.0, 3.0 and 4.2, respectively. SWR occurs regardless of the cultivation method at a soil moisture equivalent to pF 4.2, and the greatest range of SWR was found in the NT 0–10 cm layer.

Analyzing boron oxide networks through Shannon entropy and Pearson correlation coefficient

In the current age of chemical science, chemical graph theory has significantly advanced our understanding of the characteristics of chemical compounds. To simulate the mathematical, chemical, and physical aspects of networks, a topological index, a numerical measure obtained from the graph of a chemical network, employed. Recent work has explored the topological properties of boron oxide using chemical graph theory. In this work, we conduct a Pearson correlation analysis of boron oxide to assess the correlations between the Van and S indices and entropy metrics. We analyze the Pearson correlation coefficients between the entropy values and the calculated indices using a heatmap. In this article, a significant positive correlation between the Van, and S indices, and entropy values, which is represented by the heatmap of the strong linear correlations. To avoid duplication, a dimensionality reduction technique should be used for highly connected variables. Additionally, this study gives a detailed explanation of the link between the indices and entropy, which will form the basis of further statistical investigations.

Chemistry, Analysis, and Biological Aspects of Daprodustat, A New Hypoxia Inducible Factor Prolyl Hydroxylase Inhibitor: A Comprehensive Review.

The National Health and Nutrition Examination Survey (NHANES) carried out a survey between 2007-10 and found that as compared to the general population, the prevalence of anemia in chronic kidney disease (CKD) patients was twice high. Daprodustat is an investigational novel drug for the treatment of renal anemia. The objective of this study is to provide a comprehensive review of chemistry, synthesis, pharmacology, pharmacokinetic, and bioanalytical methods for the analysis of Daprodustat. To improve understanding, a review was carried out by creating a database of relevant prior research from electronic sources such as ScienceDirect and PubMed. The methodology is shown in the flowchart of the literature selection process. The drug was approved in 2020 for therapeutic purposes in Japan. It is a novel drug approved for the treatment of anemia in chronic kidney disease for oral administration. It is intended for adults who have undergone dialysis for a minimum of four months and are experiencing anemia as a result of chronic kidney disease. This review examines therapeutic, pharmacological, and analytical aspects related to the novel drug Daprodustat.

Microwave‐Assisted One‐Pot Synthesis of Tetrahydro‐β‐Carbolines by Fe(II)‐Catalyst: Utilizing Methanol as Methylene Synthon

AbstractThe synthesis of tetrahydro‐β‐carbolines (THβCs) framework is a fundamental aspect of medicinal chemistry due to their significant pharmacological applications. Herein, we developed a microwave‐assisted novel approach for the synthesis of THβC scaffolds utilizing ferrous(II) chloride as an earth abundant metal catalyst and methanol used as valuable methylene source. This methodology demonstrates excellent functional group tolerance and provides N2‐substituted THβCs in good to excellent yields. Overall, this study highlights a sustainable and practical strategy for the synthesis of biologically important THβCs, thereby offering promising prospects in the drug discovery and development.

Influenced of Discovery Learning Model Assisted by iSpring Presenter on Students HOT Literacy Redox Reactions

This research aims to determine the influence of the discovery learning model assisted by iSpring presenter media which is greater than the conventional model on students' chemistry literacy HOT abilities and aspects of developed HOTS literacy abilities. Three classes of class X pupils from SMAS Imelda Medan made up the study's population. Thirty students each from classes X MIA 2 and X MIA 3 made up the research sample. Nineteen multiple-choice questions made up the test instrument used in the study Hypothesis testing used the right-hand t test with the research results obtained by the value tcount > ttable (2.243 > 2.002) meaning that Ha was accepted and H0 was rejected, which means that the influence of using the discovery learning model assisted by iSpring presenter media on students' chemical literacy HOT abilities had a greater impact than using the conventional model. on redox reaction material with an N-Gain value of 0.75 (75.03%). Besides that, the HOT literacy skills acquired through the iSpring presenter media-assisted discovery learning paradigm were demonstrated in C5 reasoning with an 87.94% percentage in the redox reaction material.

Recent Advances in Electrolytes for Magnesium Batteries: Bridging the gap between Chemistry and Electrochemistry.

Rechargeable magnesium batteries (RMBs) have the potential to provide a sustainable and long-term solution for large-scale energy storage due to high theoretical capacity of magnesium (Mg) metal as an anode, its competitive redox potential (Mg/Mg2+:-2.37 V vs. SHE) and high natural abundance. To develop viable magnesium batteries with high energy density, the electrolytes must meet a range of requirements: high ionic conductivity, wide electrochemical potential window, chemical compatibility with electrode materials and other battery components, favourable electrode-electrolyte interfacial properties and cost-effective synthesis. In recent years, significant progress in electrolyte development has been made. Herein, a comprehensive overview of these advancements is presented. Beginning with the early developments, we particularly focus on the chemical aspects of the electrolytes and their correlations with electrochemical properties. We also highlight the design of new anions for practical electrolytes, the use of electrolyte additives to optimize anode-electrolyte interfaces and the progress in polymer electrolytes.

Reaction dynamics of the nonvalence bound states of the anions

Nonvalence bound state (NBS) is a unique anionic state where an excess electron is loosely bound to a neutral molecule in long-range potentials. Since Fermi and Teller first proposed that an electron could be bound in the dipolar field of a molecule, the physical and chemical properties of NBS in a variety of chemical systems have been investigated over recent decades. In this short review, recent notable studies aimed at thoroughly understanding the dynamics of NBS in various anionic chemical systems are elaborated. Photodetachment and photoelectron spectroscopic methods, particularly applied to cryogenically cooled anions, have been highly successful in providing detailed rovibronic structures of the NBS in many interesting chemical systems. Furthermore, real-time pump-probe photoelectron spectroscopy unraveled new dynamic aspects of anion physics and chemistry, offering deep insight into mode-specific autodetachment dynamics and the role of metastable NBS as a doorway into anionic chemical reactions. Autodetachment and/or nonvalence-to-valence (or vice versa) electron-transfer dynamics of NBS are found to be strongly mode-specific, presenting a challenge for theoretical explanations of their quantum-mechanical nature. The outlook for further exploration of NBS in various chemical or biological contexts as well as its potential exploitation in controlling chemical reaction is also provided.

Impact of coconut water and grape juice blend on physico-chemical and sensory properties of wine

This study focused on crafting a unique wine by blending grape juice with coconut water (CW) in varying ratios (1:2, 2:2, and 2:1), supplemented with crystallized refined table sugar to maintain a 15 oBrix. Fermentation, initiated with the wine yeast S. Cerevisiae VR21, at 0.2 g/100 mL of must, occurred at room temperature. Daily monitoring of physio-chemical parameters [total soluble solids (TSS), pH, and acidity] provided insights into substrate utilization kinetics and fermentation dynamics. The chemical constituent analysis examined the impact of grape juice concentration on the CW wine's chemical properties. During the period of fermentation, the findings indicated significant changes in must constituents; pH was found to be decreased, TSS was decreased and attained steady state however, acidity continuously rose. Subsequently, a sensory analysis using GenStat software version 12.1 evaluated the formulated samples' appearance/color, aroma, taste/body, and overall acceptability. Sensory analysis revealed a preference for formulations with CW and grape juice concentration ratios of 2:2 and 1:2. Particularly, within these ratios, a formulation with a higher proportion of grape juice exhibited superior concentrations of aldehyde, total phenolic content, and antioxidant activity, suggesting enhanced overall quality. This research provides a comprehensive understanding of the chemical and sensory aspects of these distinctive coconut water wine blends.

Preparation of pH-Responsive Kas@ZnO Quantum Dots for Synergistic Control of Rice Blast and Enhanced Disease Resistance in Rice.

The construction of controlled-release formulations improves the sustained-release performance and utilization efficiency of pesticides, which are important aspects in plant protection and environmental chemistry. The current study employs kasugamycin (Kas), which is widely used to control Magnaporthe oryzae, conjugated with carboxyl-functionalized ZnO quantum dots via amide linkages to yield a pH-responsive pesticide delivery system (Kas@ZnO). Physicochemical characterizations indicated the successful preparation of the Kas@ZnO nanoparticles. In vitro drug release assessments indicated that Kas@ZnO exhibited a loading capacity of 21.05% and could effect the controlled release of Kas in an acidic environment, which is beneficial given the unique acidic microenvironment of M. oryzae. Bioactivity assays demonstrated that Kas@ZnO could simultaneously inhibit mycelial growth and spore germination. Additionally, bioactivity tests showed that the control efficacy of Kas@ZnO against rice blast reached 67.43% after 14 days of in vivo spray inoculation, which was higher than that obtained with Kas (55.50%), suggesting improved beneficial effects of Kas@ZnO application over a prolonged duration. Moreover, Kas@ZnO enhanced the activity of defense-related enzymes in rice and upregulated the expression of defense-related genes, such as OsPR2, OsPR3, OsPR5, OsWRKY45, OsLYP6, and OsNAC4. Ultimately, the biosafety assessments revealed that Kas@ZnO did not exert any harmful effects on rice and demonstrated slight toxicity toward zebrafish. These findings indicate that Kas@ZnO can function as a pH-sensitive pesticide delivery system, allowing for targeted release of the pesticide within plant tissues. This technology demonstrates significant potential for eco-friendly plant disease management.

Biofertilizers: A sustainable strategy for enhancing physical, chemical, and biological properties of soil

A biofertilizer is a biologically derived substance that can enhance soil fertility. It is beneficial for enhancing soil fertility by introducing microorganisms that produce organic nutrients and perhaps decreasing plant illnesses. An extensive review was done to examine the efficacy of several biofertilizers in improving soil properties, including their physical, chemical, and biological characteristics. The secondary data and material for the article were gathered from a variety of sources, including government reports, published research papers, reports from various organizations, and pertinent websites that were examined and their conclusions presented. Although biofertilizers have proven to be a very sustainable method for improving soil quality and increasing crop output, there is a lack of extensive research on their effects on soil’s physical, chemical, and biological aspects. This study aims to offer a comprehensive understanding of various biofertilizers and their effects. This investigation indicated that biofertilizers such as Nitrogen-fixing bacteria, phosphate solubilizers, and potassium solubilizers help to increase NPK content in the soil leading to an increase in the productivity of soil. Moreover, biofertilizers help to enhance soil physical properties (soil bulk density, soil moisture, soil temperature, and soil color), chemical properties (soil pH, soil nitrogen content, soil phosphorus content, soil potassium content, and soil organic carbon content), and chemical properties (population of bacteria, fungi, and actinomycetes). Overall, by overcoming the challenges with biofertilizers in agriculture, we can attain agricultural sustainability.

Glycogen synthase kinase 3 (GSK3) inhibition: a potential therapeutic strategy for Alzheimer's disease.

Alzheimer's disease (AD), the most common type of dementia among older adults, is a chronic neurodegenerative pathology that causes a progressive loss of cognitive functioning with a decline of rational skills. It is well known that AD is multifactorial, so there are many different pharmacological targets that can be pursued. According to estimates from the World Health Organization (WHO), 18 million individuals worldwide suffer from AD. Major initiatives to identify risk factors, enhance care giving, and conduct basic research to delay the beginning of AD were started by the USA, France, Germany, France, and various other nations. Widely recognized as a key player in the development and subsequent progression of AD pathogenesis, glycogen synthase kinase-3 (GSK-3) controls a number of crucial targets associated with neuronal degeneration. GSK-3 inhibition has been linked to reduced tau hyperphosphorylation, β-amyloid formation, and neuroprotective benefits in Alzheimer's disease. Lithium, the very first inhibitor ofGSK-3βthat was used therapeutically,has been successfully used for many years with remarkable results. A great variety of structurally varied strong GSK-3β blockers have been identified in recent years. The purpose of this thorough review is to cover the biological and structural elements of glycogen synthase kinase, as well as the medicinal chemistry aspects of GSK inhibitors that have been produced in recent years.

Electron transfer in biological systems.

Examples of how metalloproteins feature in electron transfer processes in biological systems are reviewed. Attention is focused on the electron transport chains of cellular respiration and photosynthesis, and on metalloproteins that directly couple electron transfer to a chemical reaction. Brief mention is also made of extracellular electron transport. While covering highlights of the recent and the current literature, this review is aimed primarily at introducing the senior undergraduate and the novice postgraduate student to this important aspect of bioinorganic chemistry.

Euphol: chemical and biological aspects: A review

Euphol: chemical and biological aspects: A review

Electronegativity Effects on Conformational Stability Using Bent's Rule: From Simple Molecules to Acetylcholine

Hybridization and electronegativity are fundamental concepts in chemistry connected by Bent's rule. This rule explains many aspects of the structural chemistry and reactivity of organic and inorganic compounds. Over decades, the application of Bent's rule has expanded, demonstrating its wide-ranging utility in elucidating molecular stability due to the substitution of highly electronegative atoms. This study successfully leverages Bent's rule to explain conformational energy difference in acetylcholine case using density-functional calculations. We used butane (Group 2) and butanone (Group 3) families to model the head of ACh+ and substituted one of the carbons with highly electronegative atoms: B, C, N, and O. This enabled us to evaluate the effects of electronegativity, as well as the presence of carbonyl groups, on their conformational stability and s character. There were three highlighted results. First, our calculations result in the s character are consistent with Bent's rule. Second, the high conformational energy differences can be attributed to the changes of s character in C2–Z bond: linear in Group 2 and exponential in Group 3, indicating the strong contribution of the carbonyl group. Third, the key determining factor in ACh+ conformational stability is the carbonyl group, which also strongly contributes to the solute-solvent interactions. Therefore, our study can be further applied to other similar molecules, potentially leading to broader applications in chemistry, especially for understanding ACh+ stability for Alzheimer’s Disease treatment.