Functional Groups In Organic Compounds Research Articles

New insight into the spatio-temporal patterns of functional groups of hotspot inside the composting aggregates by synchrotron-based FTIR in hyperthermophilic composting

Hyperthermophilic composting (HTC) is a recently developed and highly promising organic fraction of municipal solid waste (OFMSW) treatment technology. Investigation of organic matter (OM) dynamics in compost particle is thus crucial for the understanding of humification of HTC process. Herein, this work aimed to study the chemical and structural changes of OM at the molecular level during HTC of OFMSW using EEM and SR-FTIR analyses. Additionally, two-dimensional correlation spectroscopy (2D-COS) was also utilized to probe and identify the changes in chemical constituents and functional groups of organic compounds on the surface of compost particles during different composting periods. Results show that SR-FTIR can detect fine-scale (~μm) changes in functional groups from the edges to the interior of compost particles during different composting periods by mapping the particles in situ. In the hyperthermophilic stage (day 9), the extracted μ-FTIR spectrum reveals a distinct boundary between anaerobic and aerobic regions within the compost particle, with a thickness of anaerobic zone (1460 cm−1) of approximately 30 μm inside the particle's core. This provides direct evidence of anaerobic trends at compost microscales level within compost particles. 2D-COS analysis indicated that organic functional groups gradually agglomerated in the order of 1330 > 2930 > 3320 > 1600 > 1030 > 895 cm−1 to the core skeleton of cellulose degradation residues, forming compost aggregates with well physicochemical properties. Overall, the first combination of SR-FTIR and EEM provides complementary explanations for the humification mechanism of HTC, potentially introducing a novel methodology for investigating the environmental behaviors and fates of various organic contaminants associated with OM during the in-situ composting biochemical process.

Nucleophiles promotes the decomposition of electrophilic functional groups of tetracycline in ZVI/H2O2 system: Efficiency and mechanism

When zero-valent iron (ZVI) is prepared and applied under neutral conditions, it is easy to form oxides or hydroxides on its surface, which hinders the electron release of ZVI. To this end, a nucleophile was introduced into the ZVI system to inhibit the precipitation of iron ions, improve the conductivity of the solution, and promote the removal efficiency of electrophilic functional groups in organic compounds. In this study, the addition of nucleophiles such as ethylenediamine, methylamine and dimethylamine to the ZVI/H2O2 system resulted in an enhanced removal efficiency of tetracycline (TC) under neutral condition, while electrophiles such as EDTA-2Na and oxalic acid dihydrate impeded the removal of TC. Experimental results demonstrated that the presence of nucleophiles could effectively promote the release of iron ions and increase the proportion of ferrous in both aqueous solution and solid surface of ZVI. Experimental and theoretical calculation results revealed that the electrophilic functional group was eliminated in the TC molecule, and the toxicity of the treated solution was reduced significantly. Overall, this work provides a selection of the conditions and pollutants applicable to ZVI under neutral pH conditions.

Green synthesis of size-controlled silver nan particles and their anti-cancer potentiality

Silver nanoparticles (Ag-NPs) are now well recognized as one of the most prevalent kinds of materials that are put to use in a wide variety of biomedical applications, most notably as an anti-cancer agent. In the current investigation, Ag-NPs were effectively produced by reducing silver ions by employing the leaf extract of Artocarpus heterophyllus as a source of reducing and capping agents. By altering the quantity of the silver nitrate solution, we successfully synthesized three distinct kinds of Ag-nanoparticles that were mediated by Artocarpus heterophyllus leaf extract. The X-ray diffraction (XRD) analysis first confirmed the formation of metallic silver, where peaks were found at fixed angles. XRD method was also used to validate the crystal geometry of the Ag-NPs, revealing that the Ag-NPs had a face-cantered cubic structure. The calculated average crystallite sizes of Sample-1 Ag-NPs, Sample-2 Ag-NPs, and Sample-3 Ag-NPs were 20.34 nm, 16.99 nm, and 18.88 nm, respectively. Ag-NPs were also confirmed from EDX analysis and firm Ag peaks, including several organic compound peaks. The nanoparticle’s range was between 120 nm and 220 nm, and the average particle size was near 170 nm, as found in the SEM image, and accumulation was observed in the SEM image. Using Fourier Transform Infrared (FT-IR) spectroscopy, we determined the functional groups of organic compounds that might be responsible for reducing agents and the presence of capping agents on the surface of Ag-NPs. The cell viability test was used to assess the cytotoxicity using the HeLa cell, a human carcinoma cell. The results revealed that the produced Ag-NPs demonstrated toxicity against carcinoma cells.

Electroreductive Desulfurative Transformations with Thioethers As Alkyl Radical Precursor

Thioethers are highly prevalent functional groups in organic compounds of natural andsynthetic origin but remain remarkably underexplored as starting materials indesulfurative transformations. As such, new synthetic methods are highly desirable tounlock the potential of the compound class and electrochemistry is an ideal tool toenable new reactivity and selectivity under mild conditions.We target aryl alkyl thioethers, which outperformes their well-established sulfoneanalogue, to form C-C bonds through the reactive intermediate. Cleaving the bond inthe precense of a hydrogen donor results in the dehydrosulfurisation product. Doing thesame reaction in the precense of CO2 or electron deficient alkene results either in thecarboxylic acid or the C(sp3)–C(sp3) product. Figure 1

Pruning the Chemical Requirements in the Detection of Functional Groups in Organic Compounds and Ions in Inorganic Salts: A Greener Outlook

Pruning the Chemical Requirements in the Detection of Functional Groups in Organic Compounds and Ions in Inorganic Salts: A Greener Outlook

FOURIER-TRANSFORM INFRARED SPECTROSCOPY ANALYSIS OF MAULI BANANA (MUSA ACUMINATA) EXTRACT AS A POTENTIAL PULP WOUND HEALING

Background: Pulp wound healing is a critical aspect of endodontics, aiming to preserve the vitality and function of dental pulp tissues. Natural compounds have gained attention for their potential therapeutic applications in dentistry. Mauli banana (Musa acuminata) is a tropical fruit in South Kalimantan as one of the natural plants that have the ability as antibacterial, antifungal, anti-inflammatory, antioxidant, and immunomodulatory effects contains various bioactive molecules with potential pulp wound healing properties. Purpose: to identify and evaluate the functional groups present in mauli banana stem extracts. Methods: This study is true experimental research, the samples were mauli banana stem that were extracted with maceration technique and were subjected to Fourier-Transform Infrared Spectroscopy test. Results: Identification of functional groups of organic compounds from mauli banana are as follows: a) Peak 3638.95 cm-1 show O-H (nonbonded hydroxy group, OH stretch primary) component alcohol, b) Peak 3265.82 cm-1is C-H (alkane), c) Peak 2928.09 cm-1 refer to OH (carboxylic acid hydrogen bonds) and aldehydes groups, d) peak 1571.35 cm-1 refers to amide, C=O - asymetric stretching, e) peak 1400.82 cm-1, refers to CO2- symetric stretching and carboxylate (carboxylic acid salt) CH2 scissoring, f) peak 1030.17 cm-1 refers to C=C (alkanes), aliphatic phosphate, g) Peak 520.53 cm-1 refers to inorganic phosphates. Conclusion: FTIR spectra analysis of mauli banana stem extract show the presence of O-H hydroxy groups, aldehydes groups, carbonyl groups, aliphatic groups, carbonyl groups, amides groups and C-O stretching vibrations suggests that the extract contains various bioactive molecules with potential pulp wound healing properties.

Comparative Study of Batch and Continuous Flow Reactors in Selective Hydrogenation of Functional Groups in Organic Compounds: What Is More Effective?

Many research papers describe selective hydrogenation of functional groups, such as nitro groups, carbonyl groups, or unsaturated carbon bonds to obtain fine chemicals or precursors of pharmaceuticals. Quite often, the catalyst performance is investigated in batch or continuous flow reactors without finding advantages and disadvantages of this or that regime. At the same time, the transition from batch processes to continuous flow occurs on the industrial scale. However, the batch process can be preferable for some reactions, in spite of its drawbacks. This review article aims to identify all publications that consider selective hydrogenation of functional groups in organic compounds, both in batch and continuous flow reactors, at the same reaction conditions that allow making conclusions about the benefits of one of the regimes in a particular case.

Enantioselective catalytic radical decarbonylative azidation and cyanation of aldehydes.

Empowered by the ubiquity of carbonyl functional groups in organic compounds, decarbonylative functionalization was prevalent in the construction of complex molecules. Under this context, asymmetric decarbonylative functionalization has emerged as an efficient pathway to accessing chiral motifs. However, ablation of enantiomeric control in a conventional 2e transition metal-catalyzed process was notable because of harsh conditions (high temperatures, etc.) that are usually required. To address this challenge and use readily accessible aldehyde directly, we report the asymmetric radical decarbonylative azidation and cyanation. Diverse aldehydes were directly used as alkyl radical precursor, engaging in the subsequent inner-sphere or outer-sphere ligand transfer where functional motifs (CN and N3) could be incorporated in excellent site- and enantioselectivity. Mild conditions, broad scope, excellent regioselectivity (driven by polarity-matching strategy), and enantioselectivity were shown for both transformations. This radical decarbonylative strategy using aldehydes as alkyl radical precursor has offered a powerful reaction manifold in asymmetric radical transformations to construct functional motifs regio- and stereoselectively.

Infrared Spectral Analysis for Prediction of Functional Groups Based on Feature-Aggregated Deep Learning.

Infrared (IR) spectroscopy is a powerful and versatile tool for analyzing functional groups in organic compounds. A complex and time-consuming interpretation of massive unknown spectra usually requires knowledge of chemistry and spectroscopy. This paper presents a new deep learning method for transforming IR spectral features into intuitive imagelike feature maps and prediction of major functional groups. We obtained 8272 gas-phase IR spectra from the NIST Chemistry WebBook. Feature maps are constructed using the intrinsic correlation of spectral data, and prediction models are developed based on convolutional neural networks. Twenty-one major functional groups for each molecule are successfully identified using binary and multilabel models without expert guidance and feature selection. The multilabel classification model can produce all prediction results simultaneously for rapid characterization. Further analysis of the detailed substructures indicates that our model is capable of obtaining abundant structural information from IR spectra for a comprehensive investigation. The interpretation of our model reveals that the peaks of most interest are similar to those often considered by spectroscopists. In addition to demonstrating great potential for spectral identification, our method may contribute to the development of automated analyses in many fields.

Electroreductive Desulfurative Transformations with Thioethers as Alkyl Radical Precursors.

Thioethers are highly prevalent functional groups in organic compounds of natural and synthetic origin but remain remarkably underexplored as starting materials in desulfurative transformations. As such, new synthetic methods are highly desirable to unlock the potential of the compound class. In this vein, electrochemistry is an ideal tool to enable new reactivity and selectivity under mild conditions. Herein, we demonstrate the efficient use of aryl alkyl thioethers as alkyl radical precursors in electroreductive transformations, along with mechanistic details. The transformations proceed with complete selectivity for C(sp3 )-S bond cleavage, orthogonal to that of established transition metal-catalyzed two-electron routes. We showcase a hydrodesulfurization protocol with broad functional group tolerance, the first example of desulfurative C(sp3 )-C(sp3 ) bond formation in Giese-type cross-coupling and the first protocol for electrocarboxylation of synthetic relevance with thioethers as starting materials. Finally, the compound class is shown to outcompete their well-established sulfone analogues as alkyl radical precursors, demonstrating their synthetic potential for future desulfurative transformations in a one-electron manifold.

Electroreductive Desulfurative Transformations with Thioethers as Alkyl Radical Precursors**

AbstractThioethers are highly prevalent functional groups in organic compounds of natural and synthetic origin but remain remarkably underexplored as starting materials in desulfurative transformations. As such, new synthetic methods are highly desirable to unlock the potential of the compound class. In this vein, electrochemistry is an ideal tool to enable new reactivity and selectivity under mild conditions. Herein, we demonstrate the efficient use of aryl alkyl thioethers as alkyl radical precursors in electroreductive transformations, along with mechanistic details. The transformations proceed with complete selectivity for C(sp3)−S bond cleavage, orthogonal to that of established transition metal‐catalyzed two‐electron routes. We showcase a hydrodesulfurization protocol with broad functional group tolerance, the first example of desulfurative C(sp3)−C(sp3) bond formation in Giese‐type cross‐coupling and the first protocol for electrocarboxylation of synthetic relevance with thioethers as starting materials. Finally, the compound class is shown to outcompete their well‐established sulfone analogues as alkyl radical precursors, demonstrating their synthetic potential for future desulfurative transformations in a one‐electron manifold.

Green synthesis of chitosan nanoparticles, optimization, characterization and antibacterial efficacy against multi drug resistant biofilm-forming Acinetobacterbaumannii

Chitosan nanoparticles (CNPs) are promising versatile cationic polymeric nanoparticles, which have received growing interest over last few decades. The biocompatibility, biodegradability, environmental safety and non-toxicity of the chitosan nanoparticles makes it preferred for a wide range of biological applications including agriculture, medical and pharmaceutical fields. In this study, CNPs were biosynthesized by aqueous extract of Eucalyptusglobulus Labill fresh leaves as bio-reductant. Box–Behnken design in 29 experimental runs was used for optimization of different factors affecting the production of CNPs. The maximum yield of CNPs was 9.91 mg/mL at pH of 4.5, chitosan concentration of 1%, incubation time of 60 min and temperature of 50 °C. The crystallinity, particle size and morphology of the biosynthesized CNPs were characterized. The CNPs possess a positively charged surface of 31.1 mV. The SEM images of the CNPs confirms the formation of spherical form with smooth surface. The TEM images show CNPs were spherical in shape and their size range was between 6.92 and 10.10 nm. X-ray diffraction indicates the high degree of CNPs crystallinity. FTIR analysis revealed various functional groups of organic compounds including NH, NH2, C–H, C−O, C–N, O–H, C–C, C–OH and C–O–C. The thermogravimetric analysis results revealed that CNPs are thermally stable. The antibacterial activity of CNPs was determined against pathogenic multidrug-resistant bacteria, Acinetobacterbaumannii. The diameters of the inhibition zones were 12, 16 and 30 mm using the concentrations of 12.5, 25 and 50 mg/mL; respectively. When compared to previous studies, the biosynthesized CNPs produced using an aqueous extract of fresh Eucalyptusglobulus Labill leaves have the smallest particle sizes (with a size range between 6.92 and 10.10 nm). Consequently, it is a promising candidate for a diverse range of medical applications and pharmaceutical industries.

Cigarette Butts Valorization: Activated Hydrochar for Methylene Blue Removal

Cigarette butts (CB) are a toxic waste that is harmful to both environment and health. This research utilized CB as activated carbon (AC) to adsorb methylene blue (MB). The AC production involved the conversion of CB to hydrochar (HC) followed by activation with KOH. The production of HC by hydrothermal carbonization, determined using a central composite robust design (CCRD),was found to be at 200° C for 5.83 h. The AC prepared from HC had a maximal MB adsorption efficiency of 97.49% from an initial MB concentration of 150 mg/L. AC, HC, and CB had significantly different MB removal efficiencies of 97.49%, 7.03% and 6.93%, respectively. The adsorption isotherm of AC with MB fit with Langmuir isotherm absorption which demonstrated that MB is adsorbed on the AC surface by chemical bonding with a single layer. By analyzing the functional groups of organic compounds using FTIR, no carbonyl groups were found in HC which indicates the destructure of cellulose-acetate. Moreover, the weight loss during measured during TGA shows that the mass composition in AC is mostly carbon black. These results show the potential of using AC prepared from waste cigarette butts as an adsorbent to removal color contaminants from water.

Identifying molecular functional groups of organic compounds by deep learning of NMR data.

We preprocess the raw nuclear magnetic resonance (NMR) spectrum and extract key features by using two different methodologies, called equidistant sampling and peak sampling for subsequent substructure pattern recognition. We also provide a strategy to address the imbalance issue frequently encountered in statistical modeling of NMR data set and establish two conventional support vector machine (SVM) and K-nearest neighbor (KNN) models to assess the capability of two feature selections, respectively. Our results in this study show that the models using the selected features of peak sampling outperform those using equidistant sampling. Then we build the recurrent neural network (RNN) model trained by data collected from peak sampling. Furthermore, we illustrate the easier optimization of hyperparameters and the better generalization ability of the RNN deep learning model by detailed comparison with traditional machine learning SVM and KNN models.

Adsorption of humic acids to lake sediments: Compositional fractionation, inhibitory effect of phosphate, and implications for lake eutrophication

Humic acid (HA) and phosphate interactions play a vital role in the biogeochemical cycle of carbon and nutrients and thus the trophic state of a lake. The adsorption behavior of HAs to sediments in the absence and presence of phosphate was investigated in this study. Three types of HAs were used, AHA from algae-dominated lake sediments, MHA from macrophyte-dominated lake sediments, and a reference HA (RHA) with terrestrial sources. The adsorption capacity of lake sediments was highest for AHA, which can be explained by that AHA contained more carboxyl-containing molecules, proteinaceous compounds and polysaccharides that were preferentially adsorbed by minerals. Phosphate showed a stronger inhibitory effect on MHA adsorption than on AHA adsorption, suggesting that AHA can more effectively replace phosphate adsorbed to sediments. Our findings show that the functional groups of organic compounds control not only their fractionation and burial but also their ability to replace phosphate in sediments. We propose a novel mechanism to explain the legacy effect of lake eutrophication. That is, as lakes shift from a macrophyte-dominated state to more eutrophic, algae-dominated state, increasing algae-derived organic compounds can promote the release of phosphate from sediments, forming a positive feedback loop that sustains internal phosphorus loading and hence lake eutrophication.

PRODUKSI DAN KARAKTERISASI BIOCHAR AMPAS TEBU(Saccharum officinarum Linn) PRODUCTION AND CHARATERIZATION OF BAGASSE BIOCHAR (Saccharum officinarum Linn)

The production and characterization of bagasse biochar (Saccharum officinarum Linn) in this study was carried out through pyrolysis for 4 hours at a temperature of 1100C. The purpose of this research was to determine the biochar capacity of bagasse (Saccharum officinarum Linn) as an ameliorant for improving fertility in marginal lands, especially in West Kalimantan, namely peatlands. The capacity of biochar as an ameliorant in this study is known based on gravimetric analysis, which has a moisture content of 0.38%, ash content of 2.42%, volatile content of 0.53%, fixed carbon (cf) 97.02%. Meanwhile, from the results of SEM-EDX characterization there were 100% carbon compounds and the presence of pores in the form of micro pores. And the results of FTIR characterization have the absorption of functional groups of organic compounds at wave numbers (cm-1) 3448.72 from the Ogroup OH streching, 2978.09 and 2931.80 CH bending groups of cellulose compounds, 2368.59 and 2276 C≡C bending groups lingnin compounds and 1620.21 and 1435.04 groups of C=O and C=C streching compounds of lingninsellulose and hemicellulose

Microscopic Characterization of Keji Beling Extract (Strobilanthes crispus L.) As Herbal Medicine Studies

Keji Beling (Strobilanthes crispus L.) is one of medicinal plants in Acanthaceae family. The leaves are the part that is often used as the herbal products such as; herbs, tea and the others. This study aims to determine the characteristics of the functional groups of organic compounds, mineral content and antioxidant activity in the leaf extract of Strobilanthes crispus L. using pottery. Test analysis in research using FTIR, SEM-EDX, XRF. The result of showed the presence of CH alkenes, CH aromatic, C-O alcohol/ether/carboxylic acid/ester, C-N amine, NO2 Nitro compounds, O-H hydrogen bond alcohol /phenol and N-H amines/amides The mineral composition contained macro elements of Ca, K, P and S. While the identified micro minerals are Si, Fe, Mo, Sr, Mn, Ba, Cu, Zn, and Ni. The microscopic morphology of Strobilanthes crispus L. leaf extract is in the form of porous solid particels, thus it is to have high water solubility. The results of the antioxidant test using the DPPH method obtained an IC50 value of 19.20 ppm which is included in the group of very active antioxidants

Simple Method to Produce Carbon from Cassava Peel by Calcination for Future Application

Abstract- and economic material. One of the benefit things is the processing of organic waste to produce carbon. This study has decomposed waste of cassava peel to yield carbon through calcinations. The process of carbonization has been conducted at temperature of thermal decomposition of cassava peel applying TGA and the carbon yield characterized by FTIR and XRD. The FTIR spectra indicates that the carbon yield from calcinations of cassava peel at various temperatures of thermal decomposition still containing some functional groups of organic compounds showed by its characteristic absorption bands. The characteristic FTIR absorption bands become more distinguishable from the spectra of unmanageable cassava peel due to increasing calcination temperatures. The pattern of X-Ray diffraction of carbon samples yielded from calcinations showed amorphous phase of carbon with several crystalline peaks of graphite at C(001), C(102), and C(112) planes.

Magnetic Field Stimulation Effect on Germination and Antioxidant Activities of Presown Hybrid Seeds of Sunflower and Its Seedlings

Magnetic field biostimulation plays a significant role in enhancing the germination of seeds and increasing the metabolic rate. The low magnetic field effect for long exposure time and its effect on antioxidant profiling have not been studied. Therefore, in the recent findings, the static magnetic field’s impact on sunflower seeds subjected to the magnetic field at varying intensity (millitesla) for different exposure times was examined. The effectiveness of magnetic biostimulation on presown sunflower seeds, growth parameters of seedlings (biomass, root and shoot length, fresh and dry weight of roots, shoots, leaf, and height of plants), and antioxidant activities were also studied. It has been revealed that magnetic treatment at 50 mT/45 min greatly influenced the growth parameters, including mean germination growth (100 ± 0.02) and final emergence rate. Concerning the antioxidant parameters, seed variety FH620 at 500 µg/µL concentration showed significant results compared to other varieties. FTIR was employed to determine the conformational changes and functional groups of organic compounds from sunflower seedlings. Tocopherol analysis by HPLC showed that magnetic treatment at 50 mT/45 min had a higher concentration of vitamin E compared to the control group. These modifications indicated that magnetic field induction enhanced seeds’ inner energy that led to seedlings’ growth and development enhancement. Besides, magnetic field pretreatment has been shown to have a beneficial influence on sunflower seeds and their bioactive compounds. Future studies should be focused on growth characteristics at the field level and yield attributes.

Enamines and Dimethylamino Imines as Building Blocks in Heterocyclic Synthesis: Reactions of DMF‐DMA Reagent with Different Functional Groups

AbstractN,N‐Dimethylformamide dimethyl acetal (DMF‐DMA) reagent can react with different functional groups of organic compounds. Enamines and dimethylamino imines are obtained, when the DMF‐DMA reagent is reacted with methylene, methyl and amino groups. These products are formed in the intermediate step in the synthesis of many hetero rings. These compounds are especially used as a starting material in the synthesis of heterostructures such as pyrimidine, pyridine, pyrazole, etc. Therefore, DMF‐DMA has been particularly prominent as a reagent in targeted synthesis and designs of many heterocyclic compounds. Herein, the reactions of DMF‐DMA reagent with different functional groups are categorized in four classes (methylene, methyl, amino, other groups) and the reactions of obtained enamine and dimethylamino imine compounds are investigated in detail such as nucleophilic addition, intramolecular cyclization or condensation reactions. The synthesis and continuation reactions of the enamine and dimethylamino imine compounds are also examined in terms of experimental conditions and reagents used.