C3-Spirooxindoles: Divergent chemical synthesis and bioactivities (2018-2023).

This scientific review documents the recent progress of C3-spirooxindoles chemistry (synthesis and reaction mechanism) and their bioactivities, focusing on the promising results as well as highlighting the biological mechanism via the reported molecular docking findings of the most bioactive derivatives. C3-Spirooxindoles are attractive bioactive agents and have been found in a variety of natural compounds, including alkaloids. They are widely investigated in the field of medicinal chemistry and play a key role in medication development, such as antivirals, anticancer agents, antimicrobials, etc. Regarding organic synthesis, several traditional and advanced strategies have been reported, particularly those that started with isatin derivatives.

Ammonia energy fraction effect on the combustion and reduced NOX emission of ammonia/diesel dual fuel.

With stringent regulations of internal combustion engine on reducing CO2 emission, ammonia has been used as an alternative fuel. Investigating how engine-related performance is affected by partial ammonia replacement of diesel fuel is essential for understanding the combustion. Therefore, in this study, a three-dimensional numerical simulation model is developed for the burning of two fuels of diesel and ammonia based on relevant parameters (i.e., compression ratio, load, ammonia energy fraction, etc.) in a lab-made diesel engine. The consequences of load and compression proportion on combustion and pollutant emissions are investigated for ammonia energy fractions between 50% and 90%. When the ammonia portion rises, the increased ammonia equivalent ratio causes ammonia to move away from the dilute combustion boundary and accelerates the combustion rate of ammonia. An increase in compression ratio significantly increases the specified thermal performance and combustion efficacy. When the compression ratio is 16, as the ammonia energy fractions increases, due to the increase in the proportion of ammonia, that is, the proportion of nitrogen atoms increases, more NOx is generated during the combustion process. When the ammonia substitution rate is 90%, as the compression ratio increases, the cylinder pressure and temperature increase. The combustion efficiency of ammonia increases, generating more NOx and NOx emissions can reach 0.66 mg/m3. At a compression ratio of 18, the NOx emissions can reach 1.59 mg/m3. However, under medium and low load conditions, as the ammonia fraction increases, the total energy of fuel decreases, and the combustion efficiency of ammonia decreases, resulting in a decrease in the heat released during combustion and a decrease in NOx emissions. When the ammonia substitution rate is 90% and the load is 25%, NOx emissions reach 0.1 mg/m3. This research provides theoretical suggestions for the profitable and use ammonia fuel in internal combustion engines in a clean manner.

Explore new quinoxaline pharmacophore tethered sulfonamide fragments as in vitro α-glucosidase, α-amylase, and acetylcholinesterase inhibitors with ADMET and molecular modeling simulation.

A new series of quinoxaline-sulfonamide derivatives 3-12 were synthesized using fragment-based drug design by reaction of quinoxaline sulfonyl chloride (QSC) with different amines and hydrazines. The quinoxaline-sulfonamide derivatives were evaluated for antidiabetic and anti-Alzheimer's potential against α-glucosidase, α-amylase, and acetylcholinesterase enzymes. These derivatives showed good to moderate potency against α-amylase and α-glucosidase with inhibitory percentages between 24.34 ± 0.01%-63.09 ± 0.02% and 28.95 ± 0.04%-75.36 ± 0.01%, respectively. Surprisingly, bis-sulfonamide quinoxaline derivative 4 revealed the most potent activity with inhibitory percentages of 75.36 ± 0.01% and 63.09 ± 0.02% against α-glucosidase and α-amylase compared to acarbose (IP = 57.79 ± 0.01% and 67.33 ± 0.01%), respectively. Moreover, the quinoxaline derivative 3 exhibited potency as α-glucosidase and α-amylase inhibitory with a minute decline from compound 4 and acarbose with inhibitory percentages of 44.93 ± 0.01% and 38.95 ± 0.01%. Additionally, in vitro acetylcholinesterase inhibitory activity for designed derivatives exhibited weak to moderate activity. Still, sulfonamide-quinoxaline derivative 3 emerged as the most active member with inhibitory percentage of 41.92 ± 0.02% compared with donepezil (IP = 67.27 ± 0.60%). The DFT calculations, docking simulation, target prediction, and ADMET analysis were performed and discussed in detail.

Preparation and modification of polymer microspheres, application in wastewater treatment: A review.

The removal of various pollutants from water is necessary due to the increasing requirements for the removal of various pollutants from wastewater and the quality of drinking water. Polymer microspheres are regarded as exemplary adsorbent materials due to their high adsorption efficiency, excellent adsorption performance, and ease of handling. Herein, the advantages and disadvantages of different preparation methods, modifications, applications and the current research status of polymer microspheres are summarized at large. Furthermore, the enhanced performance of modified composite microspheres is emphasized, including adsorption efficiency, thermal stability, and significant improvements in physical and chemical properties. Subsequently, the current applications and potential of polymeric microspheres for wastewater treatment, including the removal of inorganic and organic pollutants, heavy metal ions, and other contaminants are summarized. Finally, future research directions for polymer microspheres are proposed, outlining the challenges and solutions associated with the application of polymer microspheres in wastewater treatment.

Steroid hormone-inducible biosensor based on EGFP-tagged and environmental application.

Steroid hormones as a class of emerging organic pollutant and high concern, due to their potential risks for human and environmental. Accurate analytical methods of steroid hormones are necessary in quantifying and monitoring. Biosensor is a promising technique. In this study, though part of 3α-HSD DNA to construct a regulatory plasmid and with the EGFP reporter gene to generate a reporter plasmid. Separately transformed into Escherichia coli strain BL21 and extracted the cell lysates as novel biosensor reagents. Analyzed the total amounts of steroid hormones in water, sediment, and soil samples using biosensor reagents, and compared these results with those obtained by HPLC. In summary, detection method using an EGFP reporter that can detect trace amounts of steroid hormones to reached fg/L. The optimal reaction time range and temperature were 30 min and 30 °C, respectively, while the most suitable organic solvent for the steroid hormone was 100% ethanol, up to 96-well plate format. This method is very suitable for high-throughput detection of environmental steroid hormone pollutants.

Osteogenesis ability of CAD-CAM biodegradable polylactic acid scaffolds for reconstruction of jaw defects.

STATEMENT OF PROBLEM: Reconstruction of alveolar bony defects is difficult using grafting materials in a powder form. A biodegradable scaffold material might simplify the procedure. PURPOSE: The purpose of this in vivo study was to evaluate osteogenesis ability of a biodegradable CAD-CAM-fabricated polylactic acid (PLA) scaffold enriched with calcium phosphate salts including hydroxyapatite (HA) and beta tricalcium phosphate (ß-TCP) used to reconstruct mandibular defects in a dog model. MATERIAL AND METHODS: Surgical defects were made bilaterally in the mandible of male beagle dogs. Computerized tomography images were obtained for determination of the 3-dimensional shape of the defects after 3 months of healing. Porous PLA scaffolds were fabricated by milling custom-made CAD-CAM blocks into the desired shape. After milling, half of the scaffolds were prepared by filling the pores of the scaffolds by a mixture of HA and ß-TCP. Scaffolds were inserted in the mandibular defects bilaterally. After a healing time of 8 weeks, the bone-scaffold interface was analyzed histomorphometrically to detect the amount of new bone formation. Stained histological sections were examined using a computer software and depth of new bone formation was assessed (n=14, α=.05). RESULTS: Histomorphometric analysis revealed that enriched scaffolds with calcium phosphates had significantly (t=4.4, P<.001) higher amounts of new bone formation (1.3 ±0.33 mm) compared with the controls (0.7 ±0.39 mm). Average new bone growth in enriched scaffolds was 1.3 mm while almost half this value was observed in uncoated scaffolds, 0.7 mm. CONCLUSIONS: Within the limitations of this animal study, HA and ß-TCP enhanced osteogenesis ability of CAD-CAM-fabricated PLA scaffolds.

Synthesis, characterization, and antioxidant and bleomycin-dependent DNA damage evaluation of curcumin analogs.

In an attempt to find a new class of antioxidant agents, a series of pyrazole, pyridopyrazoltriazine, pyrazolotriazine, isoxazole, and pyridine-containing products were prepared, starting with curcumin and appropriate chemical reagents. Thus, curcumin 1 undergoes coupling reaction with diazonium salts 2-5 to afford the corresponding 4-arylazo derivatives 6-9. Heating of 6 and/or 7 in acetic acid furnished the corresponding pyrazolotriazines 10 and 11. Also, pyrazole and isoxazole derivatives were obtained upon treatment of 10 with hydrazines or hydroxylamine hydrochloride. Furthermore, multicomponent reaction of 10 with malononitrile/CH3 COONH4 or phenacylpyridinium iodide/CH3 COONH4 produced the corresponding bispyridines 16 and 17, respectively. Furthermore, condensation of 10 with guanidine nitrate or thiourea gave the corresponding pyrimidines 18 and 19, respectively. Finally, other curcumin derivatives were obtained on condensation of 1 with isatins and pyrazole-4-aldehyde. The newly synthesized compounds were evaluated as antioxidant agents. The results showed clearly that most of the compounds exhibited good activities, except for compounds 9 and 12. Compounds 1, 3, 15, and 23 exhibited high protection against DNA damage induced by the bleomycine-iron complex.

Prefabricated CAD-CAM scaffolds for management of oro-antral communication: A case report and histological analysis.

INTRODUCTION: Oro-control communication is one of the complications associated with dental extraction and oral surgeries. This case report presents a minimally invasive surgical approach for bone regeneration at the site of oro-antral communication utilizing a prefabricated computer-aided design and computer-aided manufacturing (CAD-CAM) allogenic bone block. METHODS: A 20-year-old healthy female, nonsmoker, with a badly destructed upper right first molar was referred for dental implant placement after extraction. Cone beam computerized tomography images revealed the presence of a large bone defect associated with oro-antral communication with the maxillary sinus and insufficient bone for dental implant placement. A prefabricated CAD-CAM allogenic bone scaffold was fabricated. After surgical exposure, the scaffold was secured in place and covered with a non-resorbable membrane. A dental implant was placed after 5 months, and a trephining biopsy was processed for histological evaluation. RESULTS: Closure of the oro-antral communication was clinically observed. The average width of the alveolar bone was 12 mm, and the average height was 11 mm. Histological analysis at 5-month intervals showed thin newly formed bone trabeculae encircling remnants of graft material surrounded by osteoid tissue. The newly formed bone percentages were 32 ± 18% and 28 ± 17% volume remained after the biodegradation of the scaffold. Specific immune-histochemical staining by anti-vascular epithelial growth factor expression index value was 32.06%. CONCLUSIONS: A prefabricated CAD-CAM scaffold was successfully used to seal a large oro-antral communication and regenerate sufficient bone to place a dental implant.

Modified acid polysaccharide derived from Salvia przewalskii with excellent wound healing and enhanced bioactivity.

Acid polysaccharide was extracted from Salvia przewalskii root powders (PSP), purified by diethylaminoethyl cellulose column (DEAE-52) and molecular sieve (PSP2). PSPm1 was obtained by modifying PSP2 with nitrite and phosphoric acid. The chemical structure of PSP2 and PSPm1 exhibited notable distinctions, primarily due to the absence of arabinose and promotion of glucuronic acid (GlcA). The structure of PSPm1 was deduced through the utilization of 1H, 13C, and 2-D NMR. The main chain was linked by α-D-Galp(1 â†’ 3)-α-Glcp-(1 â†’ fragments and →6)-ß-D-Galp fragments, with the presence of →4)-α-D-GlcpA-(1 â†’ 6)-ß-D-Galp-(1 â†’ ï¼Œ â†’ 4)-α-D-GalAp-(1 â†’ 2,4)-α-D-Rhap-(1 â†’ fragments and →6)-α-Glcp-(1 â†’ 2,4)-ß-D-Manp-(1 â†’ fragments. PSPm1 exhibited different immunoregulatory bioactivity in vitro, including haemostatic effects indicated by activated clotting time of 55.5 % reduction by the activated clotting time (ACT) test and wound healing function in vivo. PSPm1 also displayed better anti-tumor biological effects than unmodified. The structure-activity dissimilarity between PSP2 and PSPm1 primarily stems from variations in molecular weight (Mw), monosaccharide composition, and branching patterns. The modification of polysaccharides from the extract residues of Chinese medicinal materials may be a new form of drug supplements.

Identification and In Silico Characterization of a Conserved Peptide on Influenza Hemagglutinin Protein: A New Potential Antigen for Universal Influenza Vaccine Development.

Antigenic changes in surface proteins of the influenza virus may cause the emergence of new variants that necessitate the reformulation of influenza vaccines every year. Universal influenza vaccine that relies on conserved regions can potentially be effective against all strains regardless of any antigenic changes and as a result, it can bring enormous public health impact and economic benefit worldwide. Here, a conserved peptide (HA288-107) on the stalk domain of hemagglutinin glycoprotein is identified among highly pathogenic influenza viruses. Five top-ranked B-cell and twelve T-cell epitopes were recognized by epitope mapping approaches and the corresponding Human Leukocyte Antigen alleles to T-cell epitopes showed high population coverage (>99%) worldwide. Moreover, molecular docking analysis indicated that VLMENERTL and WTYNAELLV epitopes have high binding affinity to the antigen-binding groove of the HLA-A*02:01 and HLA-A*68:02 molecules, respectively. Theoretical physicochemical properties of the peptide were assessed to ensure its thermostability and hydrophilicity. The results suggest that the HA288-107 peptide can be a promising antigen for universal influenza vaccine design. However, in vitro and in vivo analyses are needed to support and evaluate the effectiveness of the peptide as an immunogen for vaccine development.

Oil tea shell synthesized biochar adsorptive utilization for the nitrate removal from aqueous media.

Various reported methods are devoted to nitrate removal from water over the years. However, recently researchers are focusing on developing the materials that offer bio-based, non-toxic, inexpensive and yet an efficient solution for water treatment. In this study, removal of nitrates from water was carried out using oil tea shells (OTS) as a biosorbent. OTS powder was impregnated with ZnCl2 and biochar was prepared which was further treated with Cetyltrimethylammonium bromide (CTAB), a cationic surfactant. Both the Langmuir and the Freundlich models were satisfied by the nitrate adsorption of OTS biochar. The adsorption capacity was measured at 15.6 mg/g when the circumstances were at their best. The pseudo-second-order model provided an accurate description of the kinetic data that were collected from batch trials. The adsorption yield goes up when by usage of more adsorbent, but it goes down when adsorption start with a higher concentration of nitrate. The strong basis of analytical equipments were used to characterize the OTS biosorbent. According to the findings of the research, surface-modified OTS biochar is an effective material for the removal of nitrate from aqueous solutions. This means that it has the potential to be utilized in water treatment as an adsorbent that is both inexpensive and kind to the natural environment. Removal of heavy metals and other organic pollutants, both from groundwater and wastewater using OTS biochar seems like a promising and interesting area of study.

Single- and Multilayered Perovskite Thin Films for Photovoltaic Applications.

Organic-inorganic lead halide perovskites materials have emerged as an innovative candidate in the development of optoelectronic and photovoltaic devices, due to their appealing electrical and optical properties. Herein, mix halide single-layer (~95 nm) and multilayer (average layer ~87 nm) CH3NH3PbIBr2 thinfilms were grown by a one-step spin coating method. In this study, both films maintained their perovskite structure along with the appearance of a pseudo-cubic phase of (200) at 30.16°. Single-layer and multilayer CH3NH3PbIBr2 thinfilms displayed leaky ferroelectric behavior, and multilayered thinfilm showed a leakage current of ~5.06 × 10-6 A and resistivity of ~1.60 × 106 Ω.cm for the applied electric field of 50 kV/cm. However, optical analysis revealed that the absorption peak of multilayered perovskite is sharper than a single layer in the visible region rather than infrared (IR) and near-infrared region (NIR). The band gap of the thinfilms was measured by Tauc plot, giving the values of 2.07 eV and 1.81 eV for single-layer and multilayer thinfilms, respectively. The structural analysis has also been performed by Fourier transform infrared spectroscopy (FTIR). Moreover, the fabricated CH3NH3PbIBr2 as an absorber layer for photoelectric cell demonstrated a power conversion efficiency of 7.87% and fill factor of 72%. Reported electrical, optical and photoelectric efficiency-based results suggest that engineered samples are suitable candidates for utilization in optoelectronic and photovoltaic devices.

Synthesis, characterization and in vitro antimicrobial activity of novel 2-thioxo-4-thiazolidinones and 4,4'-bis(2-thioxo-4-thiazolidinone-3-yl)diphenylsulfones.

2-Thioxo-4-thiazolidinones (3a,b) were achieved by cyclocondensation of isothiocyanatosulfonamides (1a,b) with sulfanylacetic acid at reflux temperature in dioxane in the presence of triethylamine. Compound (3a) was exploited to synthesize the versatile hitherto unknown 2-thioxo-4-thiazolidinones (5-10) via its reaction with some electrophiles. Cyclization of 4,4'-diisothiocyanate diphenylsulfone (11) with sulfanylacetic acid furnished 4,4'-bis(2-thioxo-4-thiazolidinone-3-yl)diphenylsulfone (12) which on treatment with excess 4-methoxybenzaldehyde in refluxing dioxane in the presence of piperidine yielded the bisbenzylidene derivative (13). The novel synthesized compounds were characterized by IR, (1)H NMR and mass spectral studies. All the synthesized compounds were screened in vitro for their antibacterial and antifungal activities.