Solvents Chloroform Research Articles

Biochemical Screening, In-vitro and In-silico Characterization of Citrullus colocynthis Fruit Extracts: A Combined Experimental and Computation Study.

Several medicinal plants are identified as therapeutic agents for the world's most deadly disease cancer. A member of the "Cucurbitaceae" family of medicinal plants, Citrullus colocynthis (C. colocynthis) has various pharmacological actions. In the present study we have focused on the phytochemical analysis, antimicrobial, anticancer and in silico investigation of fruit extracts of C. colocynthis. The chloroform, pure ethanolic and aq. ethanolic extracts of C. colocynthis whole fruit, peel and pulp separately have been investigated. The phytochemical analysis revealed the presence of alkaloids, flavonoids, steroids, phenols, saponins and glycosides in various parts of the fruit. Some compounds have been identified using GC-MS analysis by comparing with NIST library data. The antimicrobial activity of all extracts was checked by agar well diffusion method against five different bacterial strains such as A. baumannii, K. pneumonia, S. aureus, P. aeruginosa and E. coli. The zone of inhibition (ZOI) ranged between 11 mm to 27 mm against different strains. The polar solvent extracts (ethanolic and aq. ethanolic extract) of peel showed good sensitivity against all bacterial strains as compared to non-polar solvent (chloroform extract), which showed activity only against Staphylococcus aureus and Pseudomonas aeruginosa. The cytotoxic activity of C. colocynthis all extracts against human brain cancer cell lines (U-87) was assessed using MTT assay. The % cell viability of ethanolic (ET-PL), and aq. ethanolic extract of whole fruit and pulp showed promising results. The cancerous cell line U-87 seems to be more sensitive towards polar solvents (ethanolic and aq. ethanolic) pulp extracts than peel. Further, based on invitro results, compounds identified in ET-PP were screened for their potential as antibacterial and anticancer agents through molecular docking and MMGBSA studies. These studies strongly supported the in-vitro study results and identified new drug candidates.

Structural analysis and theoretical studies of 2-(2-chlorobenzylidene) malononitrile (CS) “a riot controlling agent”

In solvent methanol, malononitrile and 2-chlorobenzaldehyde were stirred in the presence of base piperidine to synthesise the target chemical 2-(2-chlorobenzylidene) malononitrile (CS). The crystal structure of the target compound C10H5ClN2 has been elucidated through X-ray crystallographic analysis. It crystallises in the monoclinic crystal system within the P21 space group, containing four molecules per asymmetric unit. The unit cell dimensions are a = 3.8825(3) Å, b = 21.0202(18) Å, c = 21.3481(18) Å, and β = 95.096(4)°. The phenyl and malononitrile groups, which make up the molecular components, are each planar but slanted towards one another at a dihedral angle of 12.7° (4). Besides this, target molecule is also stabilized by hydrogen bonding, halogen bonding and π stacking interactions. Solid-state structure has been analysed through Hirshfeld surface analysis, including the evaluation of the different energy frameworks, indicating that the molecular sheets are primarily formed by hydrogen bonds and halogen bonds and the stabilization is dominated via the electrostatic energy contribution. Fingerprint plots were carried out to study the relative contribution of noncovalent interactions in the target compound CS. Further, the density functional theory calculations were employed using B3LYP hybrid functional with 6-311++G level basic set to optimize the structural coordinates in gas phase and in different solvents (chloroform, water, and methanol). The chemically active regions of the target compound were identified by the analysis of molecular electrostatic potential surface. Further, from PASS analysis and literature reports, molecular docking of title compounds was carried out with human transient receptor potential ankyrin 1 ion channel (hTRPA1) (PDB-ID 6PQO). ΔGb (docking energy) and inhibition constant was calculated to be −7.53 kcal/mol and 3.33 μM respectively, with the target ion channel.

Triazine derivative as volatile solid additive for non‐halogenated solvent and thermal annealing‐free processed organic solar cells with over 18% efficiency

AbstractVolatile solid additive (VSA) has been demonstrated to be an effective strategy to optimize the morphology of the active layer for high‐performance organic solar cells (OSCs). Most of the reported OSCs with VSA are processed by chloroform (CF) and relies on thermal annealing (TA) posttreatment. However, the CF solvent problems of low boiling point, toxicity, and environmental‐unfriendly as well as increasing cost from TA restricted the large‐scale production. Here, a simple‐structured and low‐cost triazine derivative 2,4,6‐trichloro‐1,3,5‐triazine (TCT) as a VSA was introduced into PM6:BTP‐eC9‐based OSCs. Employing the TCT additive, the nonhalogenated solvent (o‐xylene) processed OSCs without TA treatment and delivered higher power conversion efficiencies (PCEs) in comparison to the TA‐treated counterpart. Benefiting from the intermolecular interactions between TCT and the active layer materials, the TCT‐treated blend films exhibited optimized morphology and enhanced crystallinity. As a result, the PM6:BTP‐eC9 OSCs achieved a champion PCE of 18.18% and fill factor (78.5%), which is among one of the most advanced nonhalogenated solvent‐processed and annealing‐free OSCs. Meanwhile, the TCT‐treated blend films also demonstrated the better photo‐stability compared to the control device. This work provides a guideline of triazine derivatives as VSA for high‐performance OSCs with TA‐free and nonhalogenated solvent‐processing treatment.

Phytochemical Analysis and Anti‐inflammatory Potential of Floscopa Scandens Lour. and Exploring Ecdysterone as Promising Therapeutic Agent: An HR‐LCMS Screening and Molecular Docking Analysis

AbstractThis study delved into the exploration of bioactive constituent profiling of Floscopa scandens Lour. by using HRLC‐MS. The plant is well‐known as a folklore herb. It is extensively utilized in traditional medicine to address various ailments such as fractures, sore eyes, fevers, abscesses, pyoderma, and acute nephritis. This study aimed to explore the phytochemical composition of F. scandens and assess the anti‐inflammatory activity of the ecdysterone marker compound by molecular docking studies followed by MD simulations. Extracts were prepared using hexane, chloroform, and methanol solvents. Chromatographic techniques were applied to isolate compounds from the methanol extract, which underwent phytochemical screening via HR‐LCMS. Functional groups were assessed using NMR and Fourier transform infrared (FTIR), confirming the presence of bioactive compounds. HR‐LCMS analysis identified 21 phytoconstituents in the methanolic fraction, with ecdysterone being a prominent component characterized through spectroscopic techniques. Our findings confirm known molecules while unveiling new bioactive constituents, particularly highlighting the potential of ecdysterone as a novel chemical entity. Molecular docking and molecular dynamic simulation analysis further show the anti‐inflammatory properties of ecdysterone with various enzymes in the body.

Ultrasound-assisted solvent extraction of phenolics, flavonoids, and major triterpenoids from Centella asiatica leaves: A comparative study

Centella asiatica has been known for its significant medicinal properties due to abundance of bioactive constituents like triterpenoids and flavonoids. Nevertheless, an appropriate solvent system and extraction technique is still lacking to ensure optimized extraction of bioactive constituents present in C. asiatica. Recently, scientists are more focused towards application of green sustainable extraction techniques for the valuable components from plant matrix owing to their eco-friendly and safe nature. Among these, ultrasonication (US) is known as a valuable strategy for separation of bioactive components from medicinal plants. Hence, current research was performed to observe the effect of ultrasonication in the presence of five different solvents (Water, Hexane, Methanol, Chloroform, and Ethyl acetate) on total phenolic contents (TPC), total flavonoid contents (TFC), antioxidant properties (DPPH, ABTS, Nitric oxide radical activity, and Superoxide anion assay), and four major triterpenoid contents in C. asiatica leaves. Herein, ultrasound assisted methanolic extract (UAME) possessed maximum amount of TPC (129.54 mg GAE/g), TFC (308.31 mg QE/g), and antioxidant properties (DPPH: 82.21 % & FRAP: 45.98 µmol TE/g) followed by ultrasound-assisted Water extract (UAWE), ultrasound-assisted ethyl acetate extract (UAEAE), ultrasound-assisted n-hexane extract (UAHE), and ultrasound-assisted chloroform extract (UACE), respectively. Moreover, the superoxide radical and nitric oxide assays depicted a similar trend, revealing the highest percent inhibition for UAME (SO: 83.47 % & NO: 66.76 %) however, the lowest inhibition was displayed by UACE (63.22 % & 50.21 %), respectively. Highest content of major terpenoids were found in UAME of C. asiatica leaves as madecassoside (8.21 mg/g) followed by asiaticoside (7.82 mg/g), madecassic acid (4.44 mg/g), and asiatic acid (3.38 mg/g). Ultrasound-assisted extraction technique can be an efficient extraction method for bioactive compounds present in C. asiatica. However, ultrasonication along with methanol as an extraction solvent can surely enhance the extraction of valuable constituents. The results of this study provide an insight into major terpenoids, and antioxidants present in extracts of C. asiatica, implicating its use in ancient medicine systems and future drug development.

Polyglycerol Sebacate/polycaprolactone/reduced graphene oxide composite scaffold for myocardial tissue engineering

The aim of this research was to fabricate and evaluate polyglycerol sebacate/polycaprolactone/reduced graphene oxide (PGS-PCL-RGO) composite scaffolds for myocardial tissue engineering. Polyglycerol sebacate polymer was synthesized using glycerol and sebacic acid prepolymers, confirmed by Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD). Six PGS-PCL-RGO composite scaffolds (S1-S6) with various weight ratios were prepared in chloroform (CF) and acetone (Ace) solvents at 8 CF:2Ace and 9 CF:1Ace volume ratios, using the electrospinning method at a rate of 1 ml/h and a voltage of 18 kV. The scaffolds' chemical composition and microstructure were characterized by FTIR, XRD, and scanning electron microscopy (SEM). Further investigations included tensile testing, contact angle testing, four-point probe testing for electrical conductivity, degradation testing, and cytotoxicity testing (MTT). The results showed that adding 2%wt RGO to the composite scaffold decreased fiber diameter and degradation rate, while increasing electrical conductivity and ductility. The 33%PGS-65%PCL-2%RGO (S3) composite scaffold exhibited the lowest degradation rate (23.87 % over 60 days) and the highest electrical conductivity (51E-3 S/m). Mechanical evaluations revealed an elastic modulus of 2.46 MPa and elongation of 62.43 %, aligning closely with the heart muscle's elastomeric properties. The contact angle test indicated that the scaffold was hydrophilic, with a water contact angle of 61 ± 2°. Additionally, the cell toxicity test confirmed that scaffolds containing RGO were non-toxic and supported good cell viability. In conclusion, the 33%PGS-65%PCL-2%RGO composite scaffold exhibits mechanical and structural properties similar to heart tissue, making it an ideal candidate for myocardial tissue engineering.

A theoretical study on symmetrical non-fullerene electron acceptors molecules on BDTPT based derivatives to enhance photovoltaic properties of organic solar cells

An innovative and promising approach to developing sustainable energy solutions and promoting an eco-friendly society is the use of organic solar cells. The key component for a solution-processed bulk-heterojunction organic solar cell is the photoactive layer’s embedded donor and acceptor components. This research presents seven modified molecules comprising the A–D–A type structural configuration, entitled A1–A7. All these designed moieties exhibit marvelous outcomes in optoelectronic features, including λmax and band gap, owing to non-fullerene acceptors in the terminal regions. All these compounds are computationally assessed by employing B3LYP at 6-31G (d,p) basis set using chloroform solvent. Compared to the reference molecule, the designed molecules (A1, A2, A4, A5, A6, A7) have reflected breakthrough results. The prerequisite for directing the practical application of designed acceptors is the efficient charge transfer, evidenced by coupling the J61 donor complex with the designed A5 acceptor.

Influence of Mixed Solvent in the Morphology and Hydrophobicity of Electrospun Polystyrene Porous Fibers.

Electrospun polystyrene (PS) fibers are produced using a mixed solvent of chloroform and n,n-dimethylformamide (DMF) to investigate the influence of the solvent ratio on the fiber surface morphology and contact angle of the obtained mats. Electrospinning is a simple processing technique for producing fibers with diameters in the range of nanometers to a few micrometers. When using the different solvent ratios for this process, porous PS membranes are created due to nonsolvent and thermally induced phase separation (N-TIPS). The morphology of the fibers is analyzed through scanning electron microscopy (SEM), which showed that fibers have diameters between 200nm and 6µm. SEM also revealed that the pores present on the surface of the fibers vary from densely compacted and well-formed nanopores with diameters in the range of 20-50nm to larger pores with sizes of ≈100-200nm. The pore size varied with different solvent ratios. The surface area is analyzed using the Brunauer-Emmett-Teller (BET) method and found that the polymeric fibers have a high surface area (≈35 m2g-1). The fibers with such morphology are highly hydrophobic, with a contact angle higher than 143°. These materials are excellent candidates for applications in textiles, filtration, and biomedical fields.

Physiochemical Analysis, Antioxidant Activity, Antimicrobial Activity and Phenolic Profile of Ipomoea eriocarpa R. Br. Leaves.

Many active substances found in plants are essential in the treatment of transmissible and non-transmissible ailments. To enhance their well-being and capabilities, most people around the globe use medicines from plants and herbal origin. The goal of the current study was an assessment of physiochemical properties as well as measuring the effect of various solvents (ethanol, chloroform, and water) on the phenolic profile and on free radical scavenging potential. The standard procedures were used for the preliminary phytochemical, physiochemical and fluorescence analysis. Folin-Ciocalteu and colorimetric methods were used to determine the quantitative phytochemical analysis, respectively. The free radical scavenging potential was determined through 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′′-casino-bis (3-ethylbenzothiazoline-6-sulphonic) acid (ABTS) assays. The antimicrobial activity was assessed using the disk diffusion method on a range of bacterial and fungal strains. The finding showed that ethanol was the best solvent for extracting polyphenols. The presence of alkaloids, carbohydrates, flavonoids, glycosides, phenolic compounds, and tannins was observed in the plant. Additionally, fluorescence characteristics and physiochemical parameters provided valuable data that can be used to establish standards for this plant. Results of quantitative phytochemical estimation revealed that the ethanol extract had a higher phenolic content (71.82 mg/g GAE) and flavonoid content (82.7 mg/g QE), while the aqueous extract had the lowest phenolic content (27.05 mg/g GAE) and flavonoid content (18.93 mg/g QE). The I. eriocarpa ethanolic extract had the maximum scavenging potential against DPPH (32.36 µg/mL) and ABTS (55.54 µg/mL). The results of the antimicrobial activity assessment also indicate that the ethanol extract exhibited a greater inhibition zone when tested against both bacterial strains. Results of thecurrent study suggested that the ethanolic extract has significant antioxidant potential and has the capability of being a notable source of organic antioxidants for the formulation of functional foods.

The process of evaporation of a colloidal solution of stabilized Boron nitride nanoparticles

Purpose. Characterization of the chemical structure of boron nitride nanoparticles by IR spectroscopy during the evaporation of their colloidal system and their sizes by small-angle X-ray scattering.Methods. The solvent evaporation process from the colloidal system was studied using a Nicolet iS 50 FT-IR spectrometer in the mid-IR range (400 – 4000 cm-1), with an attenuated total reflectance accessory with a diamond crystal (incident angle of 45°) and a liquid cell (200 μL). The sizes of the colloidal particles were determined using an smallangle X-ray scattering diffractometer in linear collimation mode (resolution 0.03 nm-1, copper anode X-ray tube 2.2 kW, λ = 0.154 nm, exposure time 30 s).Results. The IR spectrum of boron nitride nanoparticles powder was measured, containing lines characteristic of cubic (952 cm-1) ) – c-BN and hexagonal crystalline phases (758, 1301, and 1372 cm-1) – h-BN. The average size of boron nitride nanoparticles in the colloidal system, according to small-angle X-ray scattering data, was 46 and 84 nm. The size of stearic acid, which acts as a stabilizing shell, was 0.8, 1.3, and 2.5 nm. Analysis of the IR spectra showed complete evaporation of the solvents (hexane and chloroform) from a drop of colloidal solution 1.2 mm thick within 30 minutes.Conclusion. In this work, the average sizes of boron nitride nanoparticles stabilized with stearic acid in a colloidal system were determined and the process of its evaporation was studied.

A new class of silatranes derived from nitrilotris(methylenephenylphosphinic) acid

Reactions of a series of trichlorosilanes RSiCl3 (R = Me, tBu, Bn, Ph, Vi, Cl) and the tris(trimethylsilyl) derivative of nitrilotris(methylenephenylphosphinic) acid (NTPA(SiMe3)3) proceeded with transsilylation (release of Me3SiCl) and afforded the respective silatrane-like cage compounds of the type N(CH2P(=O)(Ph)O)3SiR (NTPA(SiR), R = Me, tBu, Bn, Ph, Vi, Cl). According to single-crystal X-ray diffraction analyses (for R = Me, tBu, Bn, Ph, Vi) and DFT analyses (R = Me, Cl), these compounds accommodate [4+1]-coordinate Si atoms in a capped tetrahedral coordination sphere. The environment of the N atom is trigonal pyramidal, with the lone pair pointing toward the Si atom with N⋅⋅⋅Si distances in the range of 2.7451(12) Å (R = Bn) to 2.827(5) Å (R = tBu). For R = Cl, N⋅⋅⋅Si distances were calculated at the PBE0 level to be 2.748 Å in the isolated molecule, 2.620 Å in a chloroform solvate of the type NTPA(SiCl)(HCCl3)3. Analyses of the Intrinsic Bond Orbitals (IBOs) and Natural Localized Molecular Orbitals (NLMOs) revealed polarization of the N-located lone pair toward Si, with only marginal orbital contribution of the Si atom in the resultant NLMO (ca. 1.4% for R = hydrocarbyl, 2.2% for R = Cl, 3.3% for R = Cl(HCCl3)3).

Comprehensive phytochemical analysis of various extracts of Kickxia lanigera growing in Turkey

In this study, the phytochemical contents of the extracts of Kickxia lanigera plant from Baskil district of Elazığ province in Turkey obtained in different organic solvents (hexane, chloroform, ethyl acetate and butanol) were determined by spectrometric methods such as GC-MS/FID, ESI-LC-MS/TOF and NMR. The result of GC-MS analysis: palmitic acid (19.08%), oleic acid ( 18.76%), dotriacontane (13.08%), CHCl3; linoleic acid (38.13%), oleic acid (34.08%), palmitic acid (13.79%) were determined in high amounts in hexane. HPLC-TOF/MS analysis showed that the CHCl3 and BuOH extracts had low levels of standard phenols, and the main components in the EA extract (in mg/kg plant) were cinnamic acid (5.92), hesperidin (4.7), apigetrin (4.5) and p-coumaric acid (2.8). the 1H NMR spectrum showed that the CHCl3 and EA extracts were rich in phenols.

Fabrication of solar cells from polymer composite (3-Hexylthiophene-co-Thiophene) with Ag nanoparticles and study of electrical properties and efficiency

This study aims to prepare nano-polymer materials that contribute to improving the electrical properties and improving the properties and efficiency of solar cells. Also, the prepared materials are inexpensive compared to solar cells prepared from inorganic materials such as silicon and germanium. This study deals with the effect of a polymer layer containing pure polymer of 3-Hexylthiophene and Thiophenein combination with silver nanoparticles on the electrical properties relevant to solar cell applications. The polymer of 3-Hexylthiophene and Thiophene was prepared individually, then a polymer composite (3-Hexylthiophene-co-Thiophene) was made. after that then a Core-Shell of (3-hexylthiophene - CO-Thiophene) @ Ag Nanoparticles was made, after which two-layer and three-layer solar cells were made from the prepared samples. The polymers were manufactured using the additive polymerization method using chloroform (CHCl3) solvent and were subsequently characterized. The research focused on the electrical properties of the pure polymer (P3HT@Thio) doped with silver nanoparticles and its efficiency, with special attention to its application in solar cells. We found the best results in the two-layer structure. Current-voltage (I-V) measurements were conducted under illumination at room temperature with varying incident light intensities over a small area. Key parameters such as electrical conductivity, activation energy, open-circuit voltage (Voc), short-circuit current density (Jsc), maximum power point parameters (JP, VP), fill factor (FF), and power conversion efficiency (η) were calculated for all samples under standard laboratory conditions. The results demonstrate that the highest electrical conductivity (2.39x10⁻³ s.cm⁻¹) was achieved with the polymer blend of 70% P3HT-CO-30% PTH doped with 25% silver nanoparticles (Ag NPs). The activation energy, ranging from 0.1448 eV to 0.8537 eV, showed the lowest value at the same polymer blend, likely due to the proximity of the conduction and valence band levels induced by nanoparticle doping. Additionally, the efficiency of the solar cells was assessed, revealing significant improvements in device performance. The optimal efficiency, measured at 10.488%, was observed in the (PEDOT)/ (PCPM+Active Layer) structure. All relevant parameters, including Jsc, Voc, FF, and power conversion efficiency (PCE).

Comparative metabolites profiling of different solvent extracts of Asparagus species cladodes using liquid chromatography-mass spectrometry-based metabolomics and molecular networking.

Asparagus species are naturally distributed worldwide and are known for their pharmacological properties that offer cures for various ailments. However, the metabolic choreography of these Asparagus species is not well characterized, and the compounds contributing to their bioactivities remain unknown. This study aimed to profile and compare the metabolomes of three Asparagus species cladodes using different solvent extractions. An ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry-based metabolomics and molecular networking approach was used to study the effects of different solvents (ethyl acetate, methanol, and chloroform) with varying polarity on metabolites extraction and identification of bioactive compounds from three Asparagus species cladodes (Asparagus falcatus, Asparagus plumosus, and Asparagus densiflorus 'Meyersii'). Multivariate statistical analyses (mainly principal component analysis) revealed a significant separation between the three solvents and the three species, indicating notable metabolic differences. A total of 118 metabolites were identified in the three species extracted with the different solvents, with methanolic and chloroform extracts containing more metabolites compared with ethyl acetate extracts. These metabolites were identified as belonging to the flavonoids, cinnamic acids, organooxygen compounds, steroids, fatty acids, benzenes, and glycerophospholipids compound classes. Furthermore, these compounds classes were differentially distributed among the three species, indicating chemical/chemotaxis differences between the compared species. Chloroform and methanol are recommended as the optimal solvents to obtain a high content of phytochemical compounds from Asparagus species cladodes.

Evaluation of Phytochemicals, Antioxidants, and Antidiabetic Activity of Nitophyllum marginale by Using Analytical Approaches

Background: Nitophyllum marginale holds potential for medical applications due to its bioactive compounds, making it promising for developing new therapeutic interventions. Our study aims to evaluate the bioactivity of Nitophyllum marginale extracts obtained using methanol and chloroform solvents. We focus on analyzing the phytochemical profile, antioxidant activity, and antidiabetic potential of seaweed extract in this study. By examining the medicinal properties of Nitophyllum marginale, we aim to explore the therapeutic bioactivity potentiality and its prime role in improvising and searching for potential alternatives for seizing Diabetes mellitus. Materials and Methods: The antioxidant activity of Nitophyllum marginale was evaluated using ABTS, DPPH, nitric oxide, lipid peroxidation, and hydrogen peroxide assays. Additionally, alphaglucosidase inhibition tests were conducted to evaluate the potential as an antidiabetic agent. Results: The study revealed that extracts from Nitophyllum marginale contain antioxidants that protect cells from oxidative stress. These extracts also contain bioactive compounds like alkaloids, flavonoids, phenols, saponins, and carbohydrates. These compounds work together to provide antioxidant benefits. Additionally, the extracts showed activity against alpha-glucosidase, which is vital for managing blood sugar levels. Conclusion:: These results emphasize the existence of bioactive metabolites exhibiting phytochemicals, antioxidants, and antidiabetic activities obtained from the extract using chloroform and methanol solvents. These findings suggest the potential of Nitophyllum marginale extracts as a natural reservoir of antioxidants and antidiabetic agents.

Phytochemical screening, antibacterial, antioxidant, and cytotoxic activities of Geranium pusillum leaves.

Traditional medicinal plants play an important role in primary health care worldwide. The phytochemical screening and activities of Geranium pusillum were investigated in this research. The dried plant leaves were extracted with ethanol, n-hexane, chloroform, dichloromethane, methanol, acetone, and aqueous solvents. These extracts were qualitatively analyzed, GC-MS, antimicrobial activities by using the disc diffusion method, antioxidant activity was determined by 2,2-diphenyl-1-picryl-hydrazyl-hydrate (DPPH) radical scavenging, and cytotoxic activity was analyzed by the hemolytic activity of human red blood cells. The results showed phytochemicals such as flavonoids, terpenoids, steroids, phenols, saponins, tannins, and cardiac glycosides were detected in plant leaves. The ethanol extract at a concentration of 10 mg/mL showed a maximum inhibition zone 17.5 ± 0.09, 15.6 ± 0.11, 14.2 ± 0.17, 18.4 ± 0.11, 16.6 ± 0.15, 12.5 ± 0.13, 15.9 ± 0.10, and 13.1 ± 0.11 mm, and at 15 mg/mL showed 24.5 ± 0.09, 27.2 ± 0.12, 26.3 ± 0.17, 28.4 ± 0.10, 27.9 ± 0.16, 22.5 ± 0.13, 27.1 ± 0.10, and 24.1 ± 0.16 mm against Escherichia coli, Pasturella multocida (gram-negative), Staphylococcus aureus, Bacillus subtilus (gram-positive), Rhizopus solani, Aspergillus flavus, Aspergillus niger, and Alternaria alternate (fungal strain), respectively, and dichloromethane showed a minimum inhibition zone as compared to other extracts against bacterial as well as fungal strains. Chloroform extract had maximum antioxidant activity (45.00 ± 0.08%) and minimum in dichloromethane (12.20 ± 0.04%). Cytotoxic activity was found maximum in acetone extract (19.83 ± 0.07%) and minimum in ethanol extract (4.72 ± 0.04%). It is concluded that phytochemicals like phenols, flavonoids, and others may be responsible for these activities, which is why this plant is used for traditional medicine. RESEARCH HIGHLIGHTS: Geranium pusillum has therapeutic properties that exhibit various biological activities beneficial for human health. G. pusillum has significant inhibitory effects against bacterial and fungal strains. Chloroform solvent extract indicates potential free radical scavenging abilities. Acetone extract exhibits notable effects on human red blood cells and demonstrates significant cytotoxic activity.

Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework

Herein, the indolonaphthyridine-based molecules (INDTD1–INDTD8) with A1–π–A2–π–A1 configuration were designed by the end-capped modification of INDTR reference with various acceptors. The density functional theory (DFT) and time-dependent DFT (TD-DFT) analyses at M06/6-31G(d,p) level were reported in this research to explore their optoelectronic and photovoltaic features. Their geometrical structures were initially optimized at the afore-said level and followed by various calculations such as the frontier molecular orbitals (FMOs), UV–Visible, density of states (DOS), transition density matrix (TDM), binding energy (Eb), open circuit voltage (Voc) and fill factor (FF). Moreover, their global reactivity parameters (GRPs) were depicted by using the HOMO–LUMO band gaps obtained from the FMOs study. The tailored molecules demonstrated lower band gaps (2.183–2.269 eV) than INDTR (2.288 eV). They also showed bathochromic shifts in the visible region in chloroform (735.937–762.318 nm) and gas phase (710.384–729.571 nm) as compared to INDTR (724.710 and 698.498 nm, respectively). Further, intramolecular charge transfer (ICT) was demonstrated via the DOS and TDM graphical maps. Among all the entitled chromophores, INDTD7 showed significantly reduced band gap (2.183 eV), red-shifted absorption value (760.914 nm) in chloroform solvent and minimal Eb value (0.554 eV). The presence of –SO3H groups on the terminal acceptors of INDTD7 may enhance the mobility of charges. The results suggested that the newly designed chromophores can be effective candidates for the future organic solar cell applications. Moreover, this study may encourage the experimentalists to develop photovoltaic materials.

Seeds of Hyoscyamus muticus L. subsp. falezlez: Morpho-Anatomical Features, Phytochemical Investigation and Evidence for Antioxidant Activities.

This work aims to describe the morpho-anatomy and determine the mineral composition of H. muticus L. subsp. falezlez seed, and investigate the influence of extraction solvents (hexane, petroleum ether, chloroform and methanol) on contents of total phenolic (TPC) and flavonoid (TFC) and the antioxidant activity (DPPH, ABTS, reducing power and phenanthroline). The mineral content analysis revealed the presence of different elements. The results indicated that the seed extract obtained by methanol exhibited the highest yield and TPC (82.07 % and 27.14±2.2 μg GAE/mg), while the chloroform extract had the maximum TFC (24.63±0.4 μg QE/mg). In addition, all seed extracts showed excellent performances on DPPH scavenging activity. However, methanolic extract was the most effective extraction solvent for scavenging ABTS free radicals (IC50<12.5 μg/mL). Chloroform and petroleum ether extracts were the most potent in phenanthroline activity. GC-MS analysis identified 28 phytochemical compounds in all extracts and 16 compounds were identified by HPLC/DAD analysis of the methanolic extract. The multivariate analysis results highlighted the influence of solvents on the phenolic composition and antioxidant activity of seed extracts. The results suggest that H. muticus L. seeds can be a promising source enriched with bioactive constituents for application in the pharmaceutical industry.

Analysis of different bioactive compounds in the tissue of the epigeic earthworm, Eisenia fetida

BackgroundEisenia fetida is the epigeic earthworm renowned for organic waste management in vermitechnology. The medicinal properties of earthworm biomass is gaining much more importance in extracting various biomolecules. Therefore, the present study was carried out to analyze the bioactive compounds of Eisenia fetida by using gas chromatography and mass spectroscopy analysis of four different solvent extract and highlighting their biological activities.ResultsThe analysis showed the presence of 17, 22, 21 and 18 bioactive compounds in chloroform, ethyl acetate, methanol and distilled water solvent extract, respectively. Each compound were analyzed based on their peak number, R-time and Base m/z values. The molecular formula, molecular weight, compound nature, their structure and biological activities were tabulated.ConclusionThe presence of a wide range of bioactive compounds in the epigeic earthworm, Eisenia fetida, justifies the pharmacological use in curing various diseases.

Synthesis of Methyl Esters from Banda Nutmeg and Papua Nutmeg Oil Production Wastes Using the Ultrasonication Method

Methysters from oil production waste from Banda nutmeg (Myristicafragrans Houtt) and Papuan nutmeg (Myristica Argentea Ware) go through several process stages, namely isolation of trimyristin and synthesis of methyl ester. The process of isolating trimyristin from nutmeg essential oil production waste by maceration using chloroform solvent. The transesterification process with methanol uses a CaO catalyst and ultrasonication method for 20 minutes; the results are analyzed using GCMS. The results of isolating trimyristin from nutmeg oil waste for Papuan nutmeg yielded 55.6 g of trimyristin (22.24%), which was greater than Banda nutmeg which was 49.7 g of trimyristin (19.88%). Transesterification results for Banda nutmeg oil waste obtained 28.57% soakage with a composition of 5 known major methyl ester compounds, namely methyl laurate (3.22%), myristicin (13.48%), metal myristate (53.39%), methyl Palmitate (5.24%), and Methyl Oleate (9.33%). In Papuan nutmeg oil waste, a 3.93% soakage was obtained with a composition of 5 known methyl ester compounds, namely metal myristate (19.80%), methyl arachidate (18.04%), methyl linoleate (1.42%), methyl oleate ( 48.37%), and methyl stearate (3.18%). The sonication method can synthesize methyl esters from nutmeg oil waste and gives different results for the two types of nutmeg. The results of the trimyristin transesterification of Banda nutmeg seeds and Papuan nutmeg seeds using a CaO catalyst using the sonication method resulted in a methyl ester soak of Banda nutmeg waste 28.57% and Papuan nutmeg 3.93%.