Methanol Research Articles

Antidiarrhoeal activity of the 80% methanol root extract of <i> Thalictrum ryhnchocarpum</i> Dill. & A. Rich and its major constituent against castor oil-induced diarrhoea in mice

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Low cost measurement of moisture content in long grain paddy

A method was proposed and assessed for measuring the moisture content of paddy using a moisture inspection card. The effects were investigated of the head space, testing duration and moisture content of paddy on cobalt chloride-coated paper discoloration. The coated paper production process consisted of soaking paper in a solution of cobalt (II) chloride and methyl alcohol and then drying at 60 °C. The experiments using the paddy and coated paper were carried out in a jar with the head space of 25%, 50% or 75%, with the lid closed for 30 or 45 min. The results of the experiment to measure the change of the coated paper in the paddy with moisture content of 10–24% wb showed that the paper color slowly changed from blue to pink with an increase in the moisture content. Evaluation using the CIE color system found that the color value from experiments with a head space of 75% for 30 min was not significantly different from that used with a head space of 50% or 25% for 45 min, though for all head space levels, testing duration of 45 min there was more color than for 30 min with the different moisture contents of paddy. Hence, using a head space of 75% for 45 min produced significantly highest color value, so these conditions would be sufficient to allow the paddy moisture content to equilibrate with the relative humidity in the head space. The L∗, a∗, and b∗ values of the coated paper were converted to RGB values for color image printing to subsequently produce a moisture inspection card, based on the color change of the coated paper. In addition, the moisture inspection card is low cost could be reused, so it would be suitable for use by farmers in rural areas. • This method was very cheap price and can be reused. • Suitable for use by farmers in rural areas and small scale farms. • Preliminary examination of how much moisture content of paddy before deciding to sell.

Soybean Oil-based Polyol as a Modified Natural Binder for Polyurethane Turf-adhesive

Polyurethane turf adhesive is a two-component system formed by reacting diisocyante and petroleum-based polyether polyol. This polyol can be replaced by soybean oil as one of the main economical and common oils. In this article, soybean oil was epoxidized followed by oxirane ring-opening in the presence of methyl alcohol and orthophosphoric acid as a catalyst in order to create hydroxyl groups in the soybean oil which are responsible for reaction with the diisocyanate molecules. The epoxidation step was confirmed by ATR-FTIR spectroscopy and iodine value measurements. Iodine value was decreased from 135.6 g/100 g of neat soybean oil to be 5.98 g/100 g of epoxidized soybean oil. In addition, the effect of orthophosphoric acid contents (0.6%, 0.8%, 1.0%, 1.2%) on the ring-opening steps was investigated, considering the same reaction time, the same alcohol concentration and constant temperature. Successful oxirane ring-opening was confirmed by oxirane oxygen content (OOC) values which were decreased from 6.72% to 2.93%, 1.45%, 0.60% & 0.04% respectively. Hydroxyl value of oil-based polyols (OHV) were increased from 131, 180, 208 & 229 mg KOH/g respectively. Meanwhile, ATR-FTIR showed disappearance of the oxirane rings and appearance of hydroxyl groups as indication of polyol formation in the four samples. The four polyol samples were applied as modified natural binders in polyurethane turf adhesive formulations and showed comparable results against the standard and commercially used product SubFix 411.

Acute Methyl Alcohol Poisoning: A Case Report in a Tertiary Hospital, Visakhapatnam

Acute Methyl Alcohol Poisoning: A Case Report in a Tertiary Hospital, Visakhapatnam

Evaluation of Various Solvent Extracts of Tetrastigma leucostaphylum (Dennst.) Alston Leaves, a Bangladeshi Traditional Medicine Used for the Treatment of Diarrhea.

Tetrastigma leucostaphylum (TL) is an important ethnic medicine of Bangladesh used to treat diarrhea and dysentery. Hence, current study has been designed to characterize the antidiarrheal (in vivo) and cytotoxic (in vitro) effects of T. leucostaphylum. A crude extract was prepared with methanol (MTL) and further partitioned into n-hexane (NTL), dichloromethane (DTL), and n-butanol (BTL) fractions. Antidiarrheal activity was investigated using castor oil induced diarrhea, enteropooling, and gastrointestinal transit models, while cytotoxicity was evaluated using the brine shrimp lethality bioassay. In antidiarrheal experiments, all doses (100, 200, and 400 mg/kg) of the DTL extract significantly reduced diarrheal stool frequency, volume and weight of intestinal contents, and gastrointestinal motility in mice. Similarly, in the cytotoxicity assay, all extracts exhibited activity, with the DTL extract the most potent (LC50 67.23 μg/mL). GC-MS analysis of the DTL extract identified 10 compounds, which showed good binding affinity toward M3 muscarinic acetylcholine, 5-HT3, Gut inhibitory phosphodiesterase, DNA polymerase III subunit alpha, and UDP-N-acetylglucosamine-1 carboxyvinyltransferase enzyme targets upon molecular docking analysis. Although ADME/T analyses predicted the drug-likeness and likely safety upon consumption of these bioactive compounds, significant toxicity concerns are evident due to the presence of the known phytotoxin, 2,4-di-tert-butylphenol. In summary, T. leucostaphylum showed promising activity, helping to rationalize the ethnomedicinal use and importance of this plant, its safety profile following both acute and chronic exposure warrants further investigation.

Influence of chemical structure on physical properties of homogeneously converted (Castor-Linseed) mixed biofuel under optimized conditions

In this study, different mixtures of castor oil and linseed oil were converted into their corresponding biofuel throughout homogeneous catalytic reaction using sodium hydroxide as homogeneous catalyst in the presence of methyl alcohol under optimized condition. The mechanism of the transesterification reaction of the oils was proposed. The physical properties of the obtained biodiesels were determined according to ASTM fuel specification. The results showed that the gradual increase in the abundance of castor oil in the oil mixture from 10% to 90% decreases the most of properties of the obtained biofuels to meet the standard values. The study presented a good sight into the preparation of biodiesels from various types of mixed vegetable oils.

Suitability of the thawed algae for transmission electron microscopy study: Ultrastructural investigation on Coccomyxa melkonianii SCCA 048.

Morphological and ultrastructural investigations are crucial for the identification and characterization of species such as microalgae, microorganisms that greatly change their morphology and physiology during their life cycle. Transmission electron microscopy (TEM) is an excellent tool for the ultrastructural observation of cells and their components. To date, limited ultrastructural studies have been carried out on microalgae, due to the difficulties in sample preparation. The aim of this work is to establish an appropriate fixation method that allows to better preserve the algal ultrastructure and test the suitability of the thawed algae for TEM observation. Fresh and thawed algae (Coccomyxa melkonianii SCCA 048) were fixed with different TEM fixation methods (a mix of glutaraldehyde and paraformaldehyde for several incubation times, sometimes preceded by a prefixation in cold methanol). The ultrastructural images obtained from fresh algae were compared to those obtained from frozen biomass. The best morphological results were achieved by fixing fresh algae in 1% paraformaldehyde and 1.25% glutaraldehyde for 5 hr. Pretreating with frozen methyl alcohol reduced fixation time to 2 hr. Both fresh and frozen algae ultrastructure were rather well preserved also with 1% paraformaldehyde and 1.25% glutaraldehyde for 2 hr. Ultrastuctural morphological images of the thawed algae demonstrated that also frozen samples can be used in TEM research, widening specimen suitability by means of this technique.

Removal of pathogen and antibiotic resistance genes from waste activated sludge by different pre-treatment approaches

In wastewater treatment plants, most of the pathogens and antibiotic resistant genes (ARGs) transferred into and concentrated in waste activated sludge (WAS), which would cause severe public health risks. In this study, the capabilities of several WAS pre-treatment approaches to inactivate coliforms/E. coli and ARGs, as well as the subsequent regrowth of coliforms/E. coli and ARGs/intI1 in treated sludge were investigated. The results showed that electro-Fenton (EF), with continuous hydroxyl radical generation, could efficiently inactivate coliforms/E. coli in 60 min (about 4 log units), followed by methanol (MT), anode oxidization (AO), and acidification (AT). Kinetic analysis showed that the inactivation mainly occurred in the first 10 min. However, the efficiencies of all studied pre-treatment approaches on inactivating ARGs/intI1 (<2 log units) were lower than coliforms/E. coli, whilst EF still had the highest efficiency of ARGs/intI1 reduction. Mechanical ultrasound treatment (ULS) could not inactivate coliforms/E. coli in WAS, but it could efficiently reduce ARGs/intI1. High regrowth rates of coliforms/E. coli were observed in the treated WAS in 10 days, but the abundances of ARGs/intI1 continuously reduced during the after-treatment incubation. Our study showed that EF could efficiently disinfect potential pathogens, however, the reduction of ARGs/intI1 in WAS need further investigation.

Cutaneous Leishmaniasis Cases Caused by Leishmania infantum in Şanlıurfa Province, Turkey

Leishmaniases are a group of vector-borne diseases, and two clinical forms, visceral (VL) and cutaneous leishmaniasis (CL, Oriental sore), are seen in Turkey. While VL cases are recorded as 20-25 per year, CL cases are reported around 2000 per year, and nearly half of CL cases were recorded in Şanlıurfa province. Therefore, by knowing the epidemiology of the disease in Şanlıurfa province, it is possible to develop control measures and reduce the total number of cases across the country. Although Leishmania tropica is known as the main causative agent in Şanlıurfa, other Leishmania species have also been identified as a result of mass human movements in the last 10 years. In this study, we aimed to present the first CL cases caused by Leishmania infantum in Şanlıurfa. A total of 14 cases, which were admitted with the suspicion of CL and diagnosed as positive by direct microscopy and/or real-time ITS1-PCR using lesion aspiration samples are included in the study. Two or more smears were prepared from the samples taken from the lesions of the patients by fine needle aspiration. One of the smears was stained with Giemsa stain after fixation with methyl alcohol and examined under the light microscope at x1000 magnification for the presence of Leishmania amastigotes. DNA isolation was made from the other unstained preparations with a commercial kit (Qiagen DNeasy, Germany) according to the recommendations of the manufacturer. The real-time ITS1-PCR method was performed by using the Old World species-specific primers and probes. As a result, by the identification of the species with real-time ITS1-PCR, it was determined that the causative agent was L.infantum in five cases, L.major in one case and L.tropica in eight cases. It was learned that four of the cases in which L.infantum was detected as the causative agent were local, one was Syrian and they lived in the city center. Also two of the eight cases, which were identified as L.tropica, were Syrian and six of them were domestic cases and all of them lived in the city center. While all 14 patients included in the study were positive with real-time ITS1-PCR, amastigotes were detected in 10 cases only. The cases of CL presented in this study are the first cases caused by L.infantum reported from Şanlıurfa, and are important in terms of concretely demonstrating the effect of mass human mobility and migration on the epidemiology of the infection.

IMPACT OF ETHANOL, METHANOL AND SULFIDES ON THE NITRIFICATION PROCESS OF AMMONIUM IONS IN NATURAL WATERS

This paper includes the results of laboratory modeling of ethyl and methyl alcohol and sulfide ions impact on the biochemical process of ammonium ions nitrification in water from the Dniester River, Palanca village, Stefan Voda district (august 2019). An insignificant influence of ethyl and methyl alcohol (0,5 ml/L) was established in both stages of the process. In the comparison test, the stage NH4 + → NO2 - lasted 12 days, and in the presence of ethyl alcohol - 14 days and in the presence of methyl alcohol - 16 days. The NO2 - → NO3 - stage in the comparison test lasted 16 days and in the presence of ethyl alcohol 2 days less (14 days) and in the presence of methyl alcohol - 16 days, so without any influence. The study showed a significant influence of sulfur ion in both stages at a concentration of 0.1 mg/L with and without the presence of ethyl and methyl alcohol. In the comparison test, the NH4 + → NO2 - stage lasted 12 days, in the presence of the S2- ion it lasted 18 days, and in the presence of alcohols and sulfur ion - more than 20 days, the synergism of the impact being obvious. In the NO2 - → NO3 - step of the process for 20 days the NO2 - concentration did not decrease in the presence of the S2- ion, and in the presence of ethyl, methyl alcohol and S2- only 15-35% of the NO2 - ions were oxidized, in comparison with the witness test.

EXTRACORPOREAL DETOXICATION IN THE TOXIGENIC STAGE POISONING: TREATMENT RECOMMENDATIONS

Emergency extracorporeal blood cleansing must be performed in case of poisoning with highly toxic poisons (ethylene glycols, chlorinated hydrocarbons, methyl alcohol, organophosphorus compounds). Urgent - with severe poisoning with potent substances, which are characterized by a long period of a smoothed clinical course. Delayed — to the rest of the victims in case of severe poisoning and ineffectiveness of the main etiopathogenetic treatment within 6 hours according to the individual list of toxicants.

Coccoloba alnifolia Leaf Extract as a Potential Antioxidant Molecule Using In Vitro and In Vivo Assays.

The genus Coccoloba is widely used in traditional folk medicine, but few scientific data exist for this genus. The goal of this study was to characterise the chemical composition and antioxidant activities of C. alnifolia leaf extracts using in vitro and in vivo assays. Six extracts were obtained: hexane (HE), chloroform (CE), ethanol (EE), methanol (ME), water end extract (WEE), and water extract (WE). Thin-layer chromatography (TLC) analysis showed the presence of phenols, saponins, terpenes, and flavonoids. In vitro assays demonstrated substantial antioxidant potential, especially for polar extracts (EE, ME, WEE, and WE). Moreover, no toxic effects were observed on mammalian cell lines for most of the extracts at the concentrations evaluated. The nematode Caenorhabditis elegans was also used as an in vivo model for testing antioxidant potential. The EE and WE were chosen, based on previously obtained results. It was observed that neither the EE nor the WE had any toxic effect on C. elegans development. Additionally, the antioxidant potential was evaluated using tert-butyl hydroperoxide as a stressor agent. The EE increased the life span of C. elegans by 28% compared to that of the control, and the WE increased the range to 39.2-41.3%. High-performance liquid chromatography (HPLC-DAD) showed the presence of gallic acid, p-coumaric acid, and vitexin in the WE. Therefore, in vitro and in vivo data demonstrated the antioxidant potential of C. alnifolia extracts and their possible biotechnological applications.

Sığla yağının sinnamik asit ve alkollerinden elde edilen türevler

Sığla ağacı (Liquidambar orientalis Miller) Türkiye’de yetişen endemik bir ağaç türüdür. Muğla bölgesinde (Köyceğiz, Fethiye) yetişen ağaç dünyada 4 türe sahiptir. Sığla ağacı görünüş olarak çınara benzer fakat yaprakları çınar yaprağından daha küçüktür. Ağaçlar uzun ömürlü (200-300 yıl) ve 25-30 metre uzunluğa sahiptirler. Ağacın çoğalması, tohum, kök ve kütük sürgünlerden olur. Ormanların kesilmesi ve aşırı üretim gibi sebeplerden günümüzde sığla ormanlarının miktarı çok düşmüştür. Sığla yağı ağacın gövdesi kazınarak elde edilir. Bir zamanlar önemli bir ihraç maddesi olan sığla yağı günümüzde bu önemini kaybetmiştir. Kahverengimsi sarı renkte olup yarı sıvıdır. Acı bir tada ve sinnamik aside benzer bir kokuya sahiptir. % 35-40 civarındaki sinnamik asidi serbest ve ester halinde bulundurur. %1 civarında uçucu yağa sahip olan sığla yağı aynı zamanda % 60 civarında sitoresin denilen triterpen asidleri de içerir. Çalışmamızda sığla yağı, Muğla Orman Bölge Müdürlüğü, Köyceğiz Orman İşletmesinden sağlandı. Yağ içinde bulunan sinnamik asit esterleri alkollü KOH çözeltisi ile hidroliz edildi. Hidroliz sonucu esterler, potasyum sinnamat ve alkollere dönüştürüldü. Potasyum sinnamat asitlendirilerek sinnamik aside sonra metil alkol ve etil alkolle tiyonil klorür varlığında esterlerine çevrildi. Alkoller, asetil klorür ile reaksiyona sokularak asetat türevlerine dönüştürüldü. Bu oluşan esterler, 1H NMR ve IR ve GC/MS gibi değişik teknikler ile karakterize edildi.

Simulation and Economic Evaluation of Polygeneration System for Coproduction of Power, Steam, CH3OH, H2, and CO2 from Flare Gas

Today, one of the challenging issues all over the world is the appropriate use of flare gases in oil, gas, and petrochemical industries. Burning flare gases having high heating value results in economic losses and the pollution of the environment. There are several methods to use flare gases; the heat and power generation, the production of valuable fuels, or the separation of more precious components are examples of these methods. In this study, a polygeneration system is designed and simulated for the coproduction of power, steam, methanol, H2, and CO2 from the flare gases in South Pars and Assaluyeh gas fields. The polygeneration system has advantages such as reducing greenhouse gases and the coproduction and sales of energy-related products. The polygeneration system for converting flare gases to energy and various products includes an acid gas removal unit, a synthesis gas production unit, a methanol synthesis unit, a hydrogen purification unit, a combined heat and power generation unit, and a CO2 capture unit. The purpose of this study is to conduct an economic evaluation of the polygeneration system and obtain the total capital cost, the operating profit, and the payback period of this process. The simulation results show that using 9690 kg/h of flare gases produces 8133 kg/h methanol, 653.7 kg/h hydrogen, 46950 kg/h nitrogen, 9103 kg/h CO2, 109850 kg/h medium-pressure steam, and 3.7 MW power. The economic evaluation results show that in the polygeneration system, the total raw material cost and the total utilities consumption cost are $193.8 and $1859.5 per hour respectively, and the total product sales and the total utility sales are $12941.8 and $2243.5 per hour respectively; also, the operating profit is $13132 per hour. Also, the equipment cost, the installation cost, the total capital cost, and the total operating cost are $29.7 million per year, $39.2 million per year, $71 million per year, and $27.9 million per year respectively; finally, the payback period is 1.5 years.

Inherent Safety Assessment for Two Solar-based Fuels Production Processes: Methanol via CO2 Catalytic Hydrogenation and Biodiesel from Microalgal Oil

Safety is an aspect of primary relevance in early-process design and can hardly be neglected: the consequences of accidents in chemical plants have always high impact on economics and reputation. In the phase of alternative technologies’ evaluation, applying inherent safety approaches helps in identifying the major safety challenges of process schemes, orienting the final selection. In the present work, an inherent safety assessment was performed to compare two innovative fuels’ production facilities: biodiesel from microalgae and methanol synthesized via CO2 catalytic hydrogenation. The two schemes were developed to fulfil an industrial scale production, considering the best available technologies in terms of yields and energetic economy for both cases. The inherent safety performances were evaluated through a multi-criteria approach using key-performance indicators (KPIs): potential accident scenarios were simulated, followed by the identification of consequences and relative occurrence frequencies, as to quantify the risks affecting human target. The results enabled to identify the inherently safer option among two innovative processes for energy-transition fuels.

Application of SnO2/Alumina Nanocatalyst in Removal of Naphthenic Acids from Crude Oil

The separation of naphthenic acids from crude oil is difficult, and the presence of such materials in crude oil reduces its value. In this work, using catalytic esterification with methanol, naphthenic acids of crude oil were removed to reduce their harmful effects. SnO2/γ-Al2O3 nanocatalyst was synthesized and used to convert naphthenic acids of crude oil in a fixed bed catalytic reactor. The nanocatalyst was characterized by the X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and Brunauer–Emmett–Teller (BET) surface area techniques. The XRD revealed the formation of rutile SnO2 on alumina, and the FESEM approved that the catalyst is comprised of nanoparticles with a diameter in the range of 50 to 90 nm. The BET indicated that the catalyst has a mesopore structure with a surface area of 213.4 m2·g–1. The optimal conditions for the catalytic esterification process of naphthenic oil were determined. The temperature of the reduction of the total acid number (TAN) of crude oil ranged from 250 to 360 °C, and the TAN was reduced to less than 0.5 mg KOH/g in this temperature range. A methanol-to-oil ratio (M/O) of 2 wt %, a velocity space of 2.5 h–1, a reaction temperature of 300 °C, and atmospheric pressure were selected as the optimal conditions for the removal of naphthenic acids. Under these conditions, 83% of naphthenic acids was removed. The study indicated that SnO2/γ-Al2O3 could be a promising nanocatalyst for the reduction of total acid of crude oil under mild conditions.

Surface-functionalized Electrospun Polycaprolactone Fiber for Culturing Stem Cell from Human Exfoliated Deciduous Teeth Culture

Smooth and bead-free polycaprolactone (PCL) fiber with average diameter of 2.8 micron and pore size of 25 micron were spun from 17 % w/w PCL dissolved in a chloroform:methyl alcohol mixture (3:1 by volume) at 20 kV, a fiber collection distance of 15 cm, a nozzle diameter of 0.9 mm, and 2 ml/h for 5 hours. Then, the fiber surface was immobilized by gelatin (GE), coated by hyaluronic acid (HA), and done by both processes to obtain GE-PCL, HA-PCL, and HA-GE-PCL, respectively. The treated fiber was completely wet by water, whereas the PCL fiber was not. GE improved thermal stability, while HA increased the tensile strength and elastic moduli of the fiber. Both GE and HA reduced their elongations at break. Stem cells from human deciduous teeth (SHED) were chosen to study their proliferation on the fiber, which was exponentially in the following order: GE-PCL > HA-GE-PCL > HA-PCL gt; PCL.

Hepatoprotective and free radical scavenging activities of methanol extract fractions of Capparis decidua Edgew (Forssk.) (Capparidaceae)

The main objective of the study is to evaluate the hepatoprotective and antioxidant activities of different extracts and fractions of a Sudanese traditionally used plant, Capparis decidua Edgwe (Forssk.) (Capparidaceae). Carbon tetrachloride (CCl4) induced hepatotoxicity in rats, and DPPH radical scavenging activity (RSA) were the methods used to evaluate the hepatoprotective and antioxidant activities of this plant respectively. The rats were injected i.p. with dichloromethane and methanol 80% extracts at 250 and 500 mg/Kg body weight by the C. decidua stem. It was found that the methanol extract showed significant hepatoprotective activity when compared with control group (CCl4 group); also its liver function parameters were as effective as the positive control (Silymarin group). Fractionation of the methanol extract of C. decidua stem was applied by using dichloromethane (DCM), ethyl acetate, n-butanol and aqueous solvents. The fractions were tested on CCl4- induced hepatotoxicity rats at dose 500 mg/kg body weight where ethyl acetate, DCM and n-butanol fractions showed significant hepatoprotective activity when compared with control group (CCl4 group); their liver function parameters were within the normal ranges as well as the standard drug group (silymarin group). DPPH radical scavenging activities (RSA) of DCM, ethyl acetate and n-butanol fractions were 86, 92 and 53% respectively. These findings prove the high linkage between hepatoprotective and antioxidant activities. The aqueous fraction showed very weak hepatoprotective property, and antioxidant activity (14% RSA). Key words: Capparis decidua Edgwe (Forssk.), methanol extract fractions, hepatoprotective activity, CCl4, DPPH.

Assessment of the antioxidant and antimicrobial activities of Caralluma deflersiana growing in the South of Saudi Arabia

Reactive oxygen species and oxidative stress are related to a large number of human degenerative diseases. Consequently, plants have been investigated across the world to exploit their potential antioxidant and antimicrobial activities. In the current study, Caralluma deflersiana is native to Saudi Arabia and was screened to assess its antioxidant and antimicrobial potential activities as well as the phenolic content/phytochemicals. Subsequently, the collected aerial parts were extracted by maceration with different solvents. The antioxidant activity was investigated using the total antioxidant capacity, diphenylpicryl hydrazine (DPPH)- radical scavenging assay, ABTS radical scavenging assay, and Ferric reducing antioxidant power assay (FRAP). Regarding the antimicrobial activity, the Minimum Inhibitory Concentration (MIC) assays were used. The total phenolic content of C. deflersiana extracts was quantified using standard methods. As a result, the water extract of C. deflersiana displayed a strong antioxidant activity in all tested methods compared to other plant extracts. Moreover, it was also noted that water and methanolic extracts exhibited approximately similar bacterial and fungal growth inhibition. Additionally, the water extract of C. deflersiana also demonstrated the highest phenol content among other plant extracts, consistent with the higher antioxidant activity found in C. deflersiana. In conclusion, Caralluma species could be a promising source of antioxidant and antimicrobial agents. Key words: Caralluma deflersiana, antioxidant, antimicrobial.

Synthesis, characterization, crystal structure, Hirshfeld surface analysis, antioxidant properties and DFT calculations of a novel pyrazole derivative: Ethyl 1-(2,4-dimethylphenyl)-3-methyl-5-phenyl-1H-pyrazole-4-carboxylate

An effective route for the direct synthesis of substituted pyrazole through 3+2 annulation method was described. (E)-ethyl 2-benzylidene-3-oxobutanoate was prepared from ethyl acetoacetate and benzaldehyde via Knoevenagel approach. The cyclocondensation reaction of (E)-ethyl 2-benzylidene-3-oxobutanoate with phenylhydrazine hydrochloride in acetic acid (30%) medium under reflux conditions produced directly ethyl 1-(2,4-dimethylphenyl)-3-methyl-5-phenyl-1H-pyrazole-4-carboxylate and was characterized using spectroscopic methods viz NMR, mass, UV-Vis, and CHN analysis. The compound obtained was crystallized using methyl alcohol solvent by slow evaporation method and the 3D molecular structure was confirmed using single crystal X-ray diffraction studies. The crystal structure is stabilized by intermolecular hydrogen bond of the type C-H•••O and π•••π stacking interactions. Further, the calculated 1H-NMR, TD-SCF, HOMO/LUMO, MEP, Hirshfeld surface and Mulliken population analysis were compared with the experimentally analyzed data. The optimized theoretical structure parameters are in good agreement with the experimental X-ray structures. The compound was evaluated in vitro for its antioxidant susceptibilities through DPPH and hydroxyl radical scavenging methods.