Amine Compounds Research Articles

Simple model for water wash performance in amine scrubbing for CO2 capture

In amine-based capture systems, a water wash is necessary to remove gaseous amine to minimize atmospheric emissions and maximize amine recovery. Water wash simulation requires rigorous thermodynamic and kinetic models like those for absorption and stripping systems. An offline water wash model has been developed based on simplified thermodynamic and mass transfer assumptions to simulate a single-stage water wash for flue gas from gas-fired turbines with little or no aerosol, and to expedite simulations without needing to utilize process modeling software. Calculation of activity coefficients using both Pitzer–Debye–Hückel and Debye–Hückel theory suggest that the liquid phase in a typical water wash will be ideal due to the dilute concentration of molecular and ionic species.Vapor phase piperazine (PZ) is predicted with a driving force based on the volatility of the free amine that has not reacted with other species or dissociated into its ionic form, and the predicted outlet concentration is nearly identical to that predicted by rigorous Aspen PlusⓇ simulations. The predicted UT FEED outlet concentration is 220 ppb compared to 260 ppb predicted by Aspen PlusⓇ.Single-stage water washes are predicted to have single ppm concentration of MEA leaving the wash outlet flue gas. Amino-methyl-propanol (AMP) is predicted to be reduced to 10–30 ppm by a single-stage wash, and is predicted to be a difficult-to-capture amine without further washing steps. This prediction correlates with published TCM data from an ALIGN-CCUS campaign. Amine compounds at a similar or lower volatility to that of PZ are predicted to be reduced to ppb levels via a single-stage wash.

Unveiling the Quantitative Relationships between Electron Distribution and Steric Hindrance of Organic Amines and Their Reaction Rates with Carbonyl Sulfur: A Theoretical Calculation Investigation.

The removal of carbonyl sulfide (COS) commonly contained in natural gas is of great significance but still very challenging via a widely employed absorption process due to its low reactivity and solubility in various commercial solvents. Artificial intelligence (AI) is playing an increasingly important role in the exploration of desulfurization solvents. However, practically feasible AI models still lack a thorough understanding of the reaction mechanisms. Machine learning (ML) models established on chemical mechanisms exhibit enhanced chemical interpretability and prediction performance. In this study, we constructed a series of solvent molecules with varying functional groups, including linear aliphatic amines, cyclic aliphatic amines, and aromatic amines and proposed a three-step reaction pathway to dissect the effects of charge and steric hindrance of different substituents on their reaction rates with COS. Chemical descriptors, based on electrostatic potential (ESP), average local ionization energy (ALIE) theory, Hirshfeld charges, and Fukui functions, were used to correlate and predict the electrophilic reactivity of amine groups with COS. Substituents influence the reaction rate by changing the attraction interaction of amine groups to COS molecules and the electron rearrangement in the electrophilic reaction. Furthermore, they have more pronounced steric effects on the reaction rate in the linear amines. The descriptors N_ALIE and q(N) were found to be crucial in predicting the reactivity of amine groups with COS. Present study provides a comprehensive understanding of the reaction mechanisms of COS with amine compounds, offers specific chemical principles for the development of chemistry-driven ML models, sheds light on other types of electrophilic reactions occurring on amine and phosphine groups, and guides the development of chemical solvents in gas absorption processes.

Analysis of Nitrogen Dynamics and Transcriptomic Activity Revealed a Pivotal Role of Some Amino Acid Transporters in Nitrogen Remobilization in Poplar Senescing Leaves.

Leaf senescence is an important developmental process for deciduous trees during which part of leaf nitrogen is remobilized to branches, thus being beneficial for nitrogen conservation. However, the associated regulatory mechanism remains largely unknown in deciduous trees. In this study, nitrogen dynamics and transcriptomic activity in senescing leaves were measured during autumnal senescence in hybrid poplar. Both concentrations of leaf total nitrogen (N) and amine compounds were found to decline from the pre-senescence (PRE) to the middle-senescence (MS) stage. Although the total N concentration decreased further from MS to the late-senescence (LS) and leveled off to abscission (ABS) stage, amine compound concentration increased continuously from MS to ABS, suggesting that translocation of amine compounds underperformed production of amine compounds in leaves during this period. L-glutamate, L-glutamine and α-aminoadipic acid were the top three amine compounds accumulated in senescent leaves. RNA-Seq profiling identified thousands of differentially expressed genes (DEGs) with functional association with a metabolic transition towards disassimilation. Many genes encoding amino acid metabolism enzymes and amino acid transporters (AATs) were up-regulated. Comparison of expression trend with leaf N dynamics and phylogenetic analysis identified several PtAATs which exhibited down-regulation from MS to LS stage and putatively limited leaf N remobilization. This study can serve as a primary basis to further elucidate the molecular mechanisms of nitrogen remobilization in poplar senescing leaves.

C−N Bond Formation Using Paraformaldehyde as C1 Source – Recent Advances

AbstractRecently, polyformaldehyde (PFA) has been used as C1 source to synthesize a series of value‐added compounds due to its low price, stability, low level of toxicity and easy operation. Exploiting paraformaldehyde as C1 source, rather than using traditional methylation reagent to develop benign N‐methylation reactions, can be more environment‐friendly and make the chemical industry more sustainable. In this paper, the chemical transformation of polyformaldehyde and a new strategy of methylating polyformaldehyde with amine compound to methylamine compound are reviewed. These methods will provide a reference for researchers to synthesize a large number of methylamine compounds in a short reaction by using paraformaldehyde as a single carbon source.

Metabolomic Profiling Confirms the Key Role of Oxidative Stress in the Pathophysiology of Diamond-Blackfan Anemia

Diamond-Blackfan anemia (DBA), a rare congenital bone marrow failure syndrome, characterized by severe anemia, erythroblastopenia, and congenital malformations is mostly associated with pathogenic variants in ribosomal protein (RP) genes, which cause their haploinsufficiency. The marked heterogeneity of the disease, related to different severity of hematological and non-hematological symptoms and diverse response to treatment, even in patients harboring the same RP mutation is not fully understood. Similarly, the mechanisms responsible for the predisposition of DBA patients to cancer await elucidation. We previously showed that the formation of reactive oxygen species (ROS) exceeds the anti-oxidant capacity of DBA erythrocytes leading to their higher susceptibility to destruction. Using DBA patients' samples and CRISPR/Cas9-created Rps19- and Rpl5-haploinsufficient MEL cellular models we also showed, that excessive oxidative stress, DNA damage, and activation of DNA damage response of erythroblasts is associated with an increased production of pro-/inflammatory cytokines and induction of apoptosis and senescence. In recent years, the use of metabolomic analysis appears as a promising tool that could contribute to a better understanding of the pathophysiology of the disease and discovery of novel biochemical markers with their potential use in diagnostics and prognostication. We therefore performed targeted metabolomic analysis of serum and erythrocyte samples from DBA patients (n=26) and healthy controls (n=10) using hydrophilic interaction chromatography-mass spectrometry (HILIC-MS) where 129 metabolites were detected. Significant changes in the metabolome of DBA patients were observed, with the key deregulated metabolites involved in the antioxidant defense and energy metabolism; the reduction of amine compounds (creatinine, guanidinoacetate) and hippurate in DBA patients compared to controls was also noted. In two DBA families analyzed, the altered erythrocyte metabolism and markers of oxidative stress distinguished the patients from their asymptomatic family members with the same RP mutation. The incubation of erythrocytes from symptomatic DBA patients with antioxidant N-acetylcysteine in vitro led to normalization of ROS levels in erythrocytes. Similarly, the treatment of Rpl5- and Rps19-haploinsufficienct MEL cells with a pro-inflammatory cytokine inhibitor pomalidomide, resulted in the amelioration of oxidative DNA damage (assessed by the presence of 8-oxoguanine, 8-oxoG) and reduction of p53 activation. In addition, targeted metabolomic analysis of cellular extracts showed clear separation of Rps19- and Rpl5-haploinsufficient MEL cells from control cells with significant changes affecting the level of many carbohydrates and acylcarnitines. Elevated levels of glutathione and pentose phosphate cycle intermediates in Rps19- and Rpl5-haploinsufficient MEL cells correspond with their need to cope with increased oxidative stress. Significantly increased levels of deoxynucleotides, mainly in Rpl5-haploinsufficient MEL cells, could be related to DNA damage response (DDR) process to promote repair of ROS-mediated damaged DNA. Nucleotide formation is an energy intensive process and therefore the observed decrease in acylcarnitines could be related to increased beta oxidation and increased formation of reduced coenzymes. This result from model MEL cells is consistent with 8-oxoG foci and activation of ATM (a DDR kinase) observed in erythroblasts of DBA patients expanded in vitro. Importantly, immunoreactivity for 8-oxoG and phospho-ATM S1981 was detected also in non-erythroid bone marrow cells of two DBA patients, who recently developed myelodysplastic neoplasia (MDS). Collectively, our data support the involvement of oxidative stress and pro-/inflammatory cytokines in the pathophysiology of DBA and suggest that the treatment aiming to reduce oxidative stress and/or suppress inflammation could alleviate the severity of the disease, though additional studies are needed. The potential link between oxidative damage, inflammatory cytokines, and cancer risk in DBA also deserves further research. Grant support: The Ministry of Education, Youth and Sports of the Czech Republic (8F20005), European Union - Next Generation EU, Program EXCELES (LX22NPO5102); Internal grant of Palacky University (IGA_LF_2023_002).

A novel application of CO2 corrosion inhibitory potentials of banana peel extract on mild steel: Experimental studies

The corrosion inhibitory effect of banana peel extract on mild steel in a CO2 corrosion environment is studied using weight loss method. The corrosion mechanism is studied with respect to process parameters such as the concentration of the extract, pH, temperature, and immersion time. The extract production is done using maceration method, while FTIR analysis is used to confirm the constituents of the chemical functional groups. The morphology of the corroded coupons’ surface examines SEM microscopy. The results show that the respective corrosion rate increase of 0.184–0.347 mgcm−2h−1 and 0.128–0.354 mgcm−2h−1 are obtained when temperature and immersion time increased from 35 to 75 °C and 48 to 240 h, respectively. Also, a decrease in corrosion rate of 1.01–0.128 mgcm−2h−1 and 0.035–0.0 is noted when the concentration and pH increased from 0.0001 to 1.0 g/l and 3–12, respectively. Changes in these respective experimental parameters yielding corrosion inhibitory efficiencies of (98.0–95.1), (99.1–96.0), (96.1–98.0) and (99.1–100) %. FTIR analysis confirmed the presence of electron copious functional groups such as alkane, amine, alcohol, carboxylic acid, ester and nitro compound that contain O2 and N2 atoms that can donate lone pair electrons and bind metal ions. The SEM micrographs indicated that more severity of the corrosion effects is associated with low pH and high temperature conditions. That is in good agreement with corrosion test results. Hence, a strong correlation is established between the process conditions and the corrosion mechanism. It therefore concludes that banana peel has potential for CO2 corrosion mitigation.

Al2O3‐coated BiVO4 Photoanodes for Photoelectrocatalytic Regioselective C−H Activation of Aromatic Amines

AbstractPhotoelectrochemistry is becoming an innovative approach to organic synthesis. Generally, the current photoelectrocatalytic organic transformations suffer from limited reaction type, low conversion efficiency and poor stability. Herein, we develop efficient and stable photoelectrode materials using metal oxide protective layer, with a focus on achieving regioselective activation of amine compounds. Notably, our photoelectrochemistry process is implemented under mild reaction conditions and does not involve any directing groups, transition metals or oxidants. The results demonstrate that beyond photocatalysis and electrocatalysis, photoelectrocatalysis exhibits high efficiency, remarkable repeatability and good functional group tolerance, highlighting its great potential for applications.

Al2 O3 -coated BiVO4 Photoanodes for Photoelectrocatalytic Regioselective C-H Activation of Aromatic Amines.

Photoelectrochemistry is becoming an innovative approach to organic synthesis. Generally, the current photoelectrocatalytic organic transformations suffer from limited reaction type, low conversion efficiency and poor stability. Herein, we develop efficient and stable photoelectrode materials using metal oxide protective layer, with a focus on achieving regioselective activation of amine compounds. Notably, our photoelectrochemistry process is implemented under mild reaction conditions and does not involve any directing groups, transition metals or oxidants. The results demonstrate that beyond photocatalysis and electrocatalysis, photoelectrocatalysis exhibits high efficiency, remarkable repeatability and good functional group tolerance, highlighting its great potential for applications.

Catalyst- and Additive-free, Regioselective 1,6-Hydroarylation of para-Quinone Methides with Anilines in HFIP.

A simple and efficient method for the synthesis of diarylmethyl-functionalized anilines through the hexafluoroisopropanol (HFIP)-mediated regioselective 1,6-hydroarylation reaction of para-quinone methides (p-QMs) with anilines under catalyst- and additive-free conditions is reported. Various kinds of p-QMs and amines (e. g. primary, secondary and tertiary amines) are well tolerated in this transformation without the pre-protection of amino group, and the corresponding products could be generated with good to excellent yields and satisfactory regioselectivity under the optimized reaction conditions. In addition to adaptable amine compounds, indoles and their derivatives are also compatible with this reaction system. This transformation can be easily extended to a gram scale-synthesis level to synthesize the target product. Furthermore, it is worth noting that some complex small aniline molecules with biological activity can be selectively modified using this method. The possible reaction mechanism is proposed through the step-by-step control experiments and DFT calculations, showing that the key process for achieving the regioselective 1,6-hydroarylation of p-QMs is the hydrogen bonding effect of HFIP to substrates.

Nanoconfined Cathodic Electrochemiluminescence for Self-Sensitized Bioimaging of Membrane Protein.

Self-enhanced electrochemiluminescence (ECL) can be achieved via the confinement of coreactants and ECL emitters in a single nanostructure. This strategy has been used for the design of anodic ECL systems with amine compounds as coreactants. In this work, a novel confinement system was proposed by codoping positively charged ECL emitter tris(2,2'-bipyridine)ruthenium(II) (Ru(bpy)32+) and negatively charged coreactant peroxydisulfate (S2O82-) in silica nanoparticles. The codoping process could be performed by introducing S2O82- in cationic poly(diallyldimethylammonium chloride) (PDDA) to form PDDA@S2O82- and then encapsulating it and Ru(bpy)32+ in the Triton X-100 vesicle followed by the hydrolysis of tetraethyl ortosilicate, surface modification, and demulsification. The obtained RuSSNs exhibited good homogeneity, excellent monodispersity, acceptable biocompatibility, and 2.9-fold stronger ECL emission than Ru(bpy)32+-doped silica nanoparticles at an equal amount of nanoparticles in the presence of 0.1 M K2S2O8. Thus, an in situ self-sensitized cathodic ECL imaging method was designed for the monitoring of glycoprotein on living cell membranes. This work provides a new way for the modification, enhancement, and application of nano-ECL emitters in biological analysis.

Design, syntheses, theoretical calculations, MM-GBSA, potential anti-cancer and enzyme activities of novel Schiff base compounds

In this study, new Schiff base compounds (SB-F-OH, SB-Cl-OH and SB-Br-OH) were derived from chalcone-derived amine compounds containing halogen groups and 4-hydroxybenzaldehyde. Also, their phthalonitrile compounds (SB-F-CN, SB-Cl-CN and SB-Br-CN) have been synthesized. The structures of these compounds were elucidated by NMR, FT-IR and Mass spectroscopic methods. The quantum chemical parameters were calculated at B3LYP/6–31++g(d,p), HF/6–31++g(d,p) and M062X/6–31++g(d,p) levels. As the biological application of the synthesized compounds, (i) their inhibition properties of the synthesized compounds on Acetylcholinesterase (AChE) and Butyrylcholinesterase (BChE) metabolic enzymes were investigated, and their potential anticancer activities against neuroblastoma (NB; SH-SY5Y) and healthy fibroblast (NIH-3T3) cell lines were determined by in vitro assays. All compounds showed inhibition at nanomolar level with the Ki values in the range of 97.86 ± 30.51–516.82 ± 31.42 nM for AChE, 33.21 ± 4.45–78.50 ± 8.91 nM for BChE, respectively. It has been determined that all tested compounds have a remarkable cytotoxic effect against SH-SY5Y, and IC50 values were significantly lower than NIH-3T3 cells. The lowest IC50 value was observed in SB-Cl-OH (7.48 ± 0.86 µM) and SB-Cl-CN (7.31 ± 0.69 µM). The molecular docking of the molecules was also investigated using crystal structure of AChE enzyme protein (PDB ID: 4M0E), crystal structure of BChE protein (PDB ID: 6R6V) and SH-SY5Y cancer protein (PDB ID: 2F3F, 3PBL and 5WIV). The ADME properties of the compounds were investigated. MM/GBSA method is calculated binding free energy. Afterwards, ADME/T analysis was performed to examine the some properties of the molecules. Communicated by Ramaswamy H. Sarma

A new type of convergent paired electrochemical synthesis of sulfonamides under green and catalyst-free conditions

Our main goal in this work is to synthesize valuable sulfonamide compounds according to the principles of green chemistry and also to present a unique convergent paired mechanism for their synthesis. In this study, we introduced a new type of convergent paired electro-organic synthesis of sulfonamide derivatives via a catalyst, oxidant, halogen and amine-free method. In this research, instead of using toxic amine compounds, an innovative mechanism based on the reduction of nitro compounds and in-situ production of amine compounds was used. The mechanism of electrophile generation is the cathodic reduction of the nitro compound to the hydroxylamine compound and then the anodic oxidation of the hydroxylamine to the nitroso compound. On the other hand, the nucleophile generation mechanism involves the two-electron oxidation of sulfonyl hydrazide to related sulfinic acid at the anode surface. The reaction leading to the synthesis of sulfonamides involves a one-pot reaction of the generated nitroso compound with the produced sulfinic compound.

Exploring the hidden treasures of Nitella hyalina: a comprehensive study on its biological compounds, nutritional profile, and unveiling its antimicrobial, antioxidative, and hypoglycemic properties.

Macroalgae has the potential to be a precious resource in food, pharmaceutical, and nutraceutical industries. Therefore, the present study was carried out to identify and quantify the phyco-chemicals and to assess the nutritional profile, antimicrobial, antioxidant, and anti-diabetic properties of Nitella hyalina extracts. Nutritional composition revealed0.05 ± 2.40% ash content, followed by crude protein (24.66 ± 0.95%), crude fat (17.66 ± 1.42%), crude fiber (2.17 ± 0.91%), moisture content (15.46 ± 0.48%) and calculated energy value (173.50 ± 2.90 Kcal/100g). 23 compounds were identified through GC-MS analysis in ethyl acetate extract, with primary compounds being Palmitic acid, methyl ester, (Z)-9-Hexadecenoic acid, methyl ester, and Methyl tetra decanoate. Whereas 15 compounds were identified in n-butanol extract, with the major compounds being Tetra decanoic acid, 9-hexadecanoic acid, Methyl pentopyranoside, and undecane. FT-IR spectroscopy confirmed the presence of alcoholic phenol, saturated aliphatic compounds, lipids, carboxylic acid, carbonyl, aromatic components, amine, alkyl halides, alkene, and halogen compounds. Moreover, n-butanol contains 1.663 ± 0.768mg GAE/g, of total phenolic contents (TPC,) and 2.050 ± 0.143 QE/g of total flavonoid contents (TFC), followed by ethyl acetate extract, i.e. 1.043 ± 0.961mg GAE/g and 1.730 ± 0.311mg QE/g respectively. Anti-radical scavenging effect in a range of 34.55-46.35% and 35.39-41.79% was measured for n-butanol and ethyl acetate extracts, respectively. Antimicrobial results declared that n-butanol extract had the highest growth inhibitory effect, followed by ethyl acetate extract. Pseudomonas aeruginosa was reported to be the most susceptible strain, followed by Staphylococcus aureus and Escherichia coli, while Candida albicans showed the least inhibition at all concentrations. In-vivo hypoglycemic study revealed that both extracts exhibited dose-dependent activity. Significant hypoglycemic activity was observed at a dose of 300mg/kg- 1 after 6h i.e. 241.50 ± 2.88, followed by doses of 200 and 100mg/kg- 1 (245.17 ± 3.43 and 250.67 ± 7.45, respectively) for n-butanol extract. In conclusion, the macroalgae demonstrated potency concerning antioxidant, antimicrobial, and hypoglycemic properties.

Novel hydantoin derivatives: Synthesis and biological activity evaluation

Novel compounds derived from hydantoin were synthesized using a chloroacetyl chloride linker in conjunction with terminal compounds of sulphonamides and amines. The compounds were subjected to various analytical techniques, including LC-MS/MS, 1H NMR, 13C NMR, FT-IR, and determination of melting point. Subsequently, the synthesized compounds were evaluated for their potential anti-cancer properties (against) breast cancer (MCF-7) and lung cancer (A549) cell lines by the MTT assay. Additionally, the compounds' anticonvulsant activity was assessed using pentylenetetrazol (PTZ)-induced seizure in mice. Furthermore, the inhibitory activity of selected compounds against the PI3Kα enzyme at a concentration of 100 µM was investigated. The biological evaluation of the compounds did not show the expected anticonvulsant effect when tested at various doses (5, 10, and 20 mg/kg b.w using the intraperitoneal injection), with all mice showing a seizure score of 5. MTT assay showed moderate anti-cancer activity against, the (A549) cell line, with compound 37 exhibiting the highest inhibition of cell viability at 55.1%. In the case of the breast cancer cell line, compounds 37, 40, 42, and 45 demonstrated inhibition percentages ranging from 64% to 74%. Moreover, the compounds displayed a relatively limited inhibitory effect on PI3Kα activity during the in-vitro evaluation compared to staurosporine. These findings suggest that further optimization and modification of the synthesized compounds may be necessary to enhance their anticonvulsant and anti-cancer properties, particularly regarding PI3Kα inhibition.

Determination of nine organic amine compounds in CO2 absorption liquid by hydrophilic interaction liquid chromatography-electrostatic field orbitrap high resolution mass spectrometry

Carbon dioxide (CO2) absorption and capture is an effective measure to achieve the "dual carbon" goal of carbon peak and carbon neutrality in China. Organic amine compounds are widely used in the industrial separation and recovery of CO2. Thus, the establishment of analytical methods for organic amine compounds is of great significance for the research and development of carbon capture and storage (CCS) technology and carbon capture, utilization and storage (CCUS) technology. In this study, a method was developed for the determination of nine organic amine compounds in CO2 absorption liquid by hydrophilic interaction liquid chromatography (HILIC)-electrostatic field orbitrap high resolution mass spectrometry. The sample was diluted with water and filtered through a 0.22 μm nylon membrane before sampling and analysis. An Accucore HILIC column (100 mm×2.1 mm, 2.6 μm) was used for separation at 30 ℃. Gradient elution was conducted using 90% acetonitrile aqueous solution containing 5 mmol/L ammonium formate and 0.1% formic acid as mobile phase A and 10% acetonitrile aqueous solution containing 5 mmol/L ammonium formate and 0.1% formic acid as mobile phase B. Determination was performed using an electrospray ion source (ESI) in the positive ion mode. The quantitative analysis was carried out by standard addition method. The chromatographic retention performance of different chromatographic columns and the influence of different mobile phases on the separation of the organic amine compounds were compared, and the method was validated. The results showed that the linear ranges of the nine organic amine compounds were 0.04-25000 ng/mL with the linear correlation coefficients (R2) greater than 0.9910. The limits of detection (LODs) of the method were in the range of 0.0004-0.0080 ng/mL, and the limits of quantification (LOQs) of the method were in the range of 0.0035-0.0400 ng/mL. The average recoveries of the method ranged from 85.30% to 104.26% with relative standard deviations (RSDs) of 0.04%-7.95% at the spiked levels of 1, 1.5 and 3 times sample concentration. The established method was applied to detect the absorption waste liquid of a cement plant, and nine organic amine compounds could be effectively detected. The stability of the actual sample was tested, and the RSDs were 0.10%-6.35% in 48 h at 4 ℃. The method is sensitive, rapid and accurate for the determination of the nine organic amine compounds in industrial waste water. It can provide reference for the detection of organic amine compounds, and provide strong technical support for the research and industrial application of CO2 capture technology.

Comparative Screening of Phytochemicals and Bioactive Compounds of Trema orientalis (Linn. Blume) Leaf and Bark Extracts

This study compared the phytochemical constituents of the leaf with the Bark extracts of T. orientalis, using the same extraction solvents. The leaf and Bark of T. orientalis were harvested at Federal University of Technology, Akure forest, dried and pulverized into powder. Extract were prepared from the powdered plants using Methanol and N-hexane. The qualitative and quantitative phytochemical presents in the extracts were determined. The functional compounds of the leaf extract were determined by Fourier Transmission Infrared Spectrometry (FT-IR). Percentage yield of Methanol was better than N-hexane for both plant parts. The phytochemicals revealed includes: Tannins, Saponins, Flavonoids, Steroids, terpenoids and cardiac glycosides. Steroids are present in Leaf extracts but absent in Bark extract, while Saponin is only present in methanol extract of Bark of the plant. Quantitative analysis revealed that terpenoids have the highest amount with 22.90 ± 0.03 mg/g in methanol extract and 28.09 ± 0.07 mg/g in N-hexane, compared with Bark extract that has 22.22 ± 0.09 mg/g in methanol extract and 23.38 ± 0.04 mg/g in N-hexane extracts. Higher quantity of phytochemicals are present in the leaf compared with the Bark of T. orientalis The Fourier Transformed Infrared spectrometry analysis, FT-IR, unveiled the organic compounds available in the extracts, which are: aliphatic primary alcohol, secondary alcohol, aliphatic primary amine, alkane, alkene, carbon dioxide, deta-lactam, phenol, and halo compound. These results indicate that T. orientalis is promising in the choice of medicinal plant for therapeutic research.

Electronic and Structural Properties of Core-Shell Amino-Silica Nanoparticles: DFT And SCC-DFTB Calculation

Introduction: Silica nanoparticles (SNP) are extremely promising tools in nanotechnology and nano medicine. In most of applications such as capture and release of bacteriophage viruses the nano-structures of silica are coated by bio-compatible groups such as amine compounds. The presence of amino groups on the surface of the biosensors enables the installation of analyte receptors and antifouling agents such as oligo (ethylene oxide). Therefore, in this study, the electronic and structural properties of Core-Shell amino- Silica Nanoparticles are investigated.Material and Methods: In this investigation, we aim at obtaining the optimized structures and evaluate the geometries of the ground state for (SiO2) n (n=16, 20) nanoclusters. The electronic properties computed by density functional theory with GGA approximation and SCC-DFTB with hybrid Slater-Koster files are investigated and the effect of functionalization on such properties is discussed.Results: Solvolysis of studied structures is examined and it is shown that the highest occupied and lowest unoccupied molecular orbital states shift to obviously higher energy levels, which lead to more stable hydrogenated nanoclusters. The stability of nanoclusters rises by functionalization with amino and methylamine groups. Charge analysis of functionalized systems indicates the reactivity of nanoclusters. The results obtained in this paper are useful for chemical and biochemical applications of silica nanostructures.Conclusion: Results show that the length of amine hydrocarbon chain can control the electronic and magnetic properties of studied silica nanocluster (SNP) with different number of SiO2 unit. Pure ultra-small nanocluster shows the impressive spin splitting around the Fermi level, which is due to the spin splitting of outer silicon atoms. This feature of silica nanoclusters may be notable for applications in electronics.

Eco-Friendly Degradation of Natural Rubber Powder Waste Using Some Microorganisms with Focus on Antioxidant and Antibacterial Activities of Biodegraded Rubber

Natural rubber (NR) powder wastes contribute to the pollution of the environment and pose a risk to human health. Therefore, Escherichia coli AY1 and Aspergillus oryzae were used to degrade NR in the present investigation. The biodegradation was further confirmed using E. coli AY1 and A. oryzae’s ability to create biofilm, which grew on the surface of the NR. Additionally, the biodegraded NR was examined by scanning electron microscopy (SEM), attenuated total reflection–Fourier transform infrared (ATR–FTIR) spectroscopy, and gas chromatography–mass spectrometry (GC–MS). The highest weight loss (69%) of NR was detected (p < 0.05) after 210 d of incubation with the mixed microbial culture (E. coli AY1 + A. oryzae). In the SEM, the surface of the control treatment appeared uniform and normal, whereas the surface of the microbial treatment displayed an irregular shape, with apparent particle deformation and surface erosion. After biodegradation by E. coli AY1 and A. oryzae, the particle size range of the untreated NR dropped from (5.367–9.623 µm) to (2.55–6.549 µm). After treating NR with E. coli AY1 and A. oryzae, new bands appeared in the ATR–FTIR technique; others shifted down in the range of 3910–450 cm−1, suggesting the existence of active groups belonging to alcohol, secondary amine, aromatic amine, conjugated anhydride, aldehyde, alkene, and halo compounds. On the other hand, the GC–MS profile reports a significant decline (p < 0.05) in the amount of hydrocarbons while simultaneously reporting a significant increase (p < 0.05) in the proportion of oxygenated, sulfurous, and nitrogenous compounds. These active groups are attributed to the antioxidant and antibacterial properties of biodegraded NR by a mixture of E. coli AY1 and A. oryzae, which rose 9-fold (p < 0.05) compared to untreated NR. Through the use of this research, we will be able to transform NR waste into a valuable product that possesses both antioxidant and antibacterial properties.

ZrIV complexation for stability enhancement of polydopamine coatings and rapid grafting of amine compounds

AbstractPolydopamine is extensively researched in multiple disciplines due to its ability to coat various solid substrates and undergo secondary functionalization. However, a drawback of polydopamine is its tendency to degrade under strong alkaline conditions. This study aims to address this limitation. Specifically, it is observed that the stability of polydopamine significantly increases when it forms a complex with zirconium (IV). Furthermore, the polydopamine/zirconium (IV) complex demonstrates efficient incorporation of amine compounds, opening up possibilities for further applications.

Determination of Optimum Conditions for Nitrate Anion (NO3 −) Desorption on Mesoporous Silica Modified with Dimethylamine (DMA)

Mesoporous silica is an inorganic material that has high potential to be applied in various industrial fields, one of its applications is the adsorption method. To maximize the adsorption of mesoporous silica, modification of the silica surface was carried out by adding amine compounds. The amine compound used as a modifier is dimethylamine (DMA), using glycidoxypropyltrimethoxysilane (GPTMS) as a linking compound. The column method uses mesoporous silica, modified with dimethylamine, in the nitrate anions adsorption process. The adsorption capacity of the nitrate anion is 0.0917 mg/g. After adsorbed, the desorption process was carried out to release the adsorbed nitrate anions. The desorption process found that HCl was the best desorption agent used on nitrate anions. The optimum concentration of HCl was 0.15 M, with the number of nitrate anions desorbed as much as 0.0459 mg with a 100% desorption percentage.