Results in Chemistry最新文献

{"title":"Detection of hepatic cirrhosis using piezoelectric signals in collagen samples with different ethanol concentrations","authors":"Rogelio Rodriguez ,&nbsp;Gerson A. Alanis ,&nbsp;Ivan A. Muñoz ,&nbsp;Griselda A. Rivera ,&nbsp;Susana Vargas","doi":"10.1016/j.rechem.2025.102251","DOIUrl":"10.1016/j.rechem.2025.102251","url":null,"abstract":"<div><div>Hepatic cirrhosis is produced by high ethanol concentration in some parts of the body, mainly in contact with the liver. Several symptoms characterize it, but the most important is the degradation of this organ, preventing it from performing its important functions. Here, collagen-based samples were reacted with different ethanol concentrations to simulate and estimate its effect on liver degradation. The collagen samples were immersed in an ethanol-water mixture at different proportions and times. The collagen degradation was followed using Dynamic Light Scattering (DLS) to measure and characterize the denaturation produced by its interaction with alcohol and the aggregation of collagen threads due to free radicals. There is a drastic reduction in the collagen piezoelectric signals produced by its interaction with ethanol. It was possible to obtain a correlation between the intensity of the piezoelectric signal and the degradation of the collagen molecules, allowing this technique to diagnose hepatic cirrhosis.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102251"},"PeriodicalIF":2.5,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143807724","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rational computational Design of new-Generation EGFR tyrosine kinase (EGFR-TK) inhibitors","authors":"Chandraprakash Gond ,&nbsp;Nikhil Kumar ,&nbsp;Akanksha Mishra ,&nbsp;Shivani Daksh ,&nbsp;Anupama Datta ,&nbsp;Anjani Kumar Tiwari","doi":"10.1016/j.rechem.2025.102239","DOIUrl":"10.1016/j.rechem.2025.102239","url":null,"abstract":"<div><div>A library of 45 novel compounds, derivatives of 2,3-diphenyl-2,3-dihydro-1<em>H</em>-quinazolin-4-one, were designed as potential EGFR inhibitors. This work describes <em>in-silico</em> study utilizing structure-based drug design (SBDD) and ligand-based drug design (LBDD) methodologies, incorporating Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) profiling, 3D-QSAR, molecular docking, and molecular dynamics (MD) simulations. ADMET profile of all the compounds were evaluated. A predictive 3D-QSAR model showed R(Alanazi et al., 2016²), <span><math><msubsup><mi>R</mi><mi>pred</mi><mn>2</mn></msubsup></math></span>, and Q² values as 0.95, 0.62, and 0.52, respectively. The designed compounds showed binding affinities ranging from −6.9 to −8.4 kcal/mol when docked against the target protein (PDBID-6LUD). Top inhibitors included compounds 12, 13, 15, 26, 27, 28, 29, 30, 43, and 45 which demonstrated binding affinities more than −8.0 kcal/mol. Out of those, highest docking score was for compound 12 (−8.4 kcal/mol), surpassing the known anticancer drug Vandetanib (−8.0 kcal/mol). In addition, 100 ns MD simulations validated the stability of the protein-ligand complexes, confirming the potential of the selected compounds as potent EGFR inhibitor.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102239"},"PeriodicalIF":2.5,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimized pyrolysis of household plastic waste in Indonesia for oil production: Hydrocarbon profiling, fuel alternative, and potential biomedical application","authors":"Winny Andalia ,&nbsp;Irnanda Pratiwi ,&nbsp;Bazlina Dawami Afrah ,&nbsp;Imam Akbar ,&nbsp;Muhammad Imam Ammarullah","doi":"10.1016/j.rechem.2025.102247","DOIUrl":"10.1016/j.rechem.2025.102247","url":null,"abstract":"<div><div>The escalating generation of household plastic waste in Indonesia, driven by population growth and urbanization, necessitates innovative waste-to-energy solutions. This study investigates the pyrolysis of seven common household plastics: polypropylene (PP), high-density polyethylene (HDPE), low-density polyethylene (LDPE), polystyrene (PS), polyvinyl chloride (PVC), polyethylene terephthalate (PET), and others that under varying temperatures (300–500 °C) to optimize pyrolysis oil yields and characterize hydrocarbon profiles. Experimental results reveal that PP and LDPE exhibit the highest pyrolysis oil yields, reaching 78.3 % and 83.4 % at 400 °C, respectively, compared to HDPE (72.6 %) and PS (69.1 %). Gas chromatography-mass spectrometry (GC–MS) analysis indicates temperature-dependent shifts in hydrocarbon distribution: PP and PS primarily produce lighter fractions (C6–C10), with PP yielding 42.5 % gasoline-range hydrocarbons and PS producing 39.2 %, whereas LDPE and HDPE generate heavier fractions (C16–C22), constituting 58.7 % and 54.3 % of their respective pyrolysis oils, making them more suitable for diesel fuel. In contrast, PVC and PET yield only 12.5 % and 8.9 % pyrolysis oil, primarily decomposing into gases and solid residues, highlighting their limited suitability for liquid fuel production. Beyond fuel applications, this study explores the biomedical potential of pyrolysis-derived hydrocarbons, including their role in pharmaceutical synthesis, medical-grade polymer development, and bio-based solvents. Pyrolysis oils containing specific hydrocarbon fractions (C8–C12) may serve as precursors for bioactive compounds, while purified derivatives could be repurposed for biomedical coatings or antimicrobial agents. These findings provide actionable insights for optimizing pyrolysis conditions and feedstock selection, particularly in developing regions grappling with mixed plastic waste challenges, supporting both sustainable energy generation, and potential biomedical innovations.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102247"},"PeriodicalIF":2.5,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829443","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Facile eco-friendly synthesis of magnesium oxide nanocarriers using Bauhinia variegata for biomedical and photocatalytic applications","authors":"Farooq Aziz ,&nbsp;Allah Bakhsh Gulshan ,&nbsp;Zahid Usman ,&nbsp;Mubashar Rehman ,&nbsp;Qandeel Khalid ,&nbsp;Muhammad Naeem Khan ,&nbsp;Muhammad Usman Munir ,&nbsp;Hafiz Tariq Masood ,&nbsp;Muhammad Rafique","doi":"10.1016/j.rechem.2025.102248","DOIUrl":"10.1016/j.rechem.2025.102248","url":null,"abstract":"<div><div>The synthesis of nanomaterials via organic compounds poses environmental threats. It paves the way for a sustainable green synthesis approach that is biologically safe, eco-friendly, and reduces environmental problems. Herein, an ecofriendly preparation of magnesium oxide nanocarriers (MgO NCs) using <em>Bauhinia variegata</em> leaves extract was presented. The plant leaves mediated MgO NCs were synthesized and characterized by different techniques. Dynamic light scattering (DLS) was used to measure the hydrodynamic diameter and UV–Visible (UV–Vis) spectroscopy to investigate the optical properties of MgO NCs. The structural properties of MgO NCs were analyzed through X-ray diffraction, chemical attachment by Fourier transform infra-red (FTIR) spectroscopy, and morphology by scanning electron microscopy (SEM). The results showed the average size of MgO NCs to be 13 nm and possessing a face-centered cubic structure. The antibacterial investigations were performed on <em>E. coli, S. aureus,</em> and <em>Salmonella</em> <em>bacterial strains and showed the promising results</em>. Further, the photocatalytic efficiency of MgO NCs has been evaluated for methylene blue dye under sunlight irradiation that demonstrated 93 % degradation of dye in 2 hours.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102248"},"PeriodicalIF":2.5,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Accurate modeling of equilibrium adsorption of liquid phase sulfur compounds using two soft computing approaches","authors":"Armin Mohebbi ,&nbsp;Maryam Ahmadi-Pour ,&nbsp;Milad Mohebbi","doi":"10.1016/j.rechem.2025.102246","DOIUrl":"10.1016/j.rechem.2025.102246","url":null,"abstract":"<div><div>This report introduces the application of two advanced intelligent models, an adaptively trained neuro-fuzzy inference logic in a hybrid configuration (Hybrid-ANFIS) and multilayer perceptron neural network (MLP-NN) to accurately determine the equilibrium sulfur adsorption in the liquid phase of hydrocarbon/ sulfur compound solution. Models were meticulously developed using a dataset of 107 empirical observations of seven types of sulfur compounds. These models incorporate the influence of input parameters, including initial sulfur level, adsorbent weight, molecular weights of the solvent and solute, densities of the solvent and solute, adsorbent particle diameter, temperature, and the Si/Al ratio of the adsorbent. Notably, the equilibrium sulfur adsorption amount was considered as the sole output variable. To evaluate the performance and precision of the implemented models, graphical representations and quantitative analyses were employed. Moreover, an assessment between the results of implemented models of the existing study and outcomes of previous reports were conducted. The results indicate that both developed models provide precise predictions. However, the Hybrid-ANFIS model demonstrates a strong correlation in predicting the adsorption empirical data, with an average absolute relative deviation of 0.36 % and an overall R² value and 0.9997. In addition, superiority of the Hybrid-ANFIS model in providing the most reliable and accurate predictions of adsorption experimental data among all types of implemented models was concluded. This study sets a new benchmark in adsorption modeling by providing the most accurate and generalizable predictive framework to date.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102246"},"PeriodicalIF":2.5,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785251","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis characterization of azo dye 1-{2,4-Dihydroxy-5-[(2-Hydroxyphenyl)Diazenyl] phenyl} Ethan-1-one and spectroscopic characterization of the ligand with iron (III)","authors":"Maryam Ashour ,&nbsp;Farouk Kandil ,&nbsp;Abdulkader Alazrak","doi":"10.1016/j.rechem.2025.102242","DOIUrl":"10.1016/j.rechem.2025.102242","url":null,"abstract":"<div><div>New azo dye 1-{2,4-dihydroxy-5-[(2-hydroxyphenyl) di azenyl] phenyl} ethan-1-one (DHDPE) was synthesized and Characterized by the infrared spectra FTIR, MS spectroscopy,¹H NMR. The azo dye has shown analytical properties, the chelate complex has been prepared by reacting the ligand (DHDPE) with the metal ions Fe(III). The formed complex with iron ions has been studied by spectrophotometric method, and complex demeanor after limitation the optimum stipulations and ideal concentration through studying of (UV–Vis) spectrophotometric for complex, The complex had a maximum absorbance at (λ_max = 470) in the range of pH values (2−12), and it was found that the complex was stable in a range of pH values (pH =2–3).</div><div>The structure of the complex has proved to be appropriate to the mole ratio, which was gained from the spectroscopic studies of the complex. The proportion of ligand: metal is (1 L:2 M) for complex ions.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102242"},"PeriodicalIF":2.5,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Realizing mesoporous *MRE zeolites using polyethylene glycol and their catalytic evaluation in palm oil and polyethylene cracking","authors":"St Mardiana ,&nbsp;Andre Kusnadi ,&nbsp;I Made Arcana ,&nbsp;Ismunandar ,&nbsp;Grandprix T.M. Kadja","doi":"10.1016/j.rechem.2025.102244","DOIUrl":"10.1016/j.rechem.2025.102244","url":null,"abstract":"<div><div>The *MRE zeolite is one of the zeolite frameworks that has garnered significant attention in the catalytic industry due to its unique properties. Nevertheless, the micropores in *MRE can lead to faster deactivation. Therefore, in order to improve the catalytic performance, the presence of mesopores in *MRE zeolites is urgently needed, considering the diffusion resistance that may be caused by their micropores. Herein, we fabricated the mesoporous *MRE zeolite using polyethylene glycol (PEG) 400, 4000, and 5800 as a mesoporogen agent. The result exhibits that *MRE zeolite with the inclusion of PEG was successfully synthesized, which is confirmed by XRD and FTIR analysis. Moreover, TEM and BET analysis also validate the presence of mesopores. As a result, the mesopore *MRE zeolite assisted with PEG-4000 (ZM-4000) hold the optimum index hierarchy factor up to 1.000 which proving the presence of mesopores with preserved micropores. The generated mesoporous *MRE zeolite then used for the first time in gasoline production. Related to the IHF value, the mesoporous ZM-4000 showed excellent catalytic performance in palm oil cracking into gasoline with liquid product yield of 1.3 times higher than conventional *MRE zeolite (ZM). Although gasoline dominated the overall yield of all catalysts, the light cycle oil and heavy cycle oil yield of mesoporous *MRE zeolite were improved compared to the ZM sample. These results show the generate mesopores were able to facilitate the heavy molecules. The *MRE zeolite also tested by LDPE cracking and showed the exceptional catalytic performance compared to the ZM which confirming by the E_obs of 241.63 kJ mol⁻¹. This finding may point out the future direction of *MRE mesostructured zeolite tailoring strategy with PEG as an effective way for realization catalysts for industrial applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102244"},"PeriodicalIF":2.5,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation of 10B-enriched nitroimidazole derivative by click reaction as a functional drug for hypoxia-targeting boron-neutron capture therapy","authors":"Tatsuya Ozasa ,&nbsp;Miu Mizutani ,&nbsp;Tatsuya Nishihara ,&nbsp;Minoru Suzuki ,&nbsp;Kazuhito Tanabe","doi":"10.1016/j.rechem.2025.102245","DOIUrl":"10.1016/j.rechem.2025.102245","url":null,"abstract":"<div><div>We report a novel drug that can be used for the treatment of tumor hypoxic cells by boron neutron capture therapy. We attempted to modify p‑boronophenylalanine, a agent for this therapy in practical use, with a hypoxia-accumulating functional group, 2-nitroimidazole derivative to form p‑boronophenylalanine with nitroimidazole group (BPA-NI). We successfully prepared ¹⁰B-enriched BPA-NI by using click chemistry between azide-modified p‑boronophenylalanine and alkyne-modified nitroimidazole in the presence of copper catalysis. This functional molecule showed selective accumulation in hypoxic cells, and therefore showed robust cytotoxic effects toward hypoxic cells upon thermal neutron irradiation.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102245"},"PeriodicalIF":2.5,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Zn-3, a Tris[3-(2-pyridyl)-pyrazolyl]borate zinc(II) complex, shows preferential antiproliferative effects on breast cancer rather than normal breast cells via oxidative stress","authors":"Jun-Ping Shiau ,&nbsp;Min-Yu Lee ,&nbsp;Sodio C.N. Hsu ,&nbsp;Sih-Ruei Tseng ,&nbsp;Hsueh-Wei Chang","doi":"10.1016/j.rechem.2025.102240","DOIUrl":"10.1016/j.rechem.2025.102240","url":null,"abstract":"<div><div>The antiproliferative effects of Zn-3, a tris[3-(2-pyridyl)-pyrazolyl]borate zinc(II) complex, were reported previously in triple-negative breast cancer (TNBC) cells; however, its anticancer mechanisms were not assessed. This investigation evaluated the antiproliferative efficiency of Zn-3 in breast cancer and normal cells. Zn-3 demonstrates preferential antiproliferative effects on TNBC (HCC1937 and MDA-MB-468) and non-TNBC breast (MCF-7 and SKBR-3) cells rather than normal breast cells (H184B5F5/M10; M10). Zn-3 increased the quantity of subG1 cells, annexin V detection, pancaspase, and caspase 3, 8, and 9 activation, demonstrating extrinsic and intrinsic apoptosis-inducible effects on breast cancer cells. Furthermore, Zn-3 provoked oxidative stress (reactive oxygen species and mitochondrial superoxide), accompanied by the destruction of the mitochondrial membrane potential. Finally, Zn-3 causes oxidative DNA damage, evidenced by 8-hydroxy-2-deoxyguanosine detection. Utilizing <em>N</em>-acetylcysteine validated that Zn-3-generated oxidative stress acts on these antiproliferative mechanisms. Therefore, Zn-3 is a potential anti-breast-cancer agent displaying preferential antiproliferative function.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102240"},"PeriodicalIF":2.5,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Introduction to the novel ionic liquid-based catalytic system for the multicomponent preparation of benzo[f]pyrano[3,2-c]chromene and pyrano[3,2-c]chromene derivatives under ultrasonic irradiation condition","authors":"Nariman Maleki ,&nbsp;Zahra Shakarami ,&nbsp;Majid Ghashang","doi":"10.1016/j.rechem.2025.102241","DOIUrl":"10.1016/j.rechem.2025.102241","url":null,"abstract":"<div><div>A straightforward and high-productivity procedure for preparing benzo[<em>f</em>]pyrano[3,2-c]chromene derivatives is reported. 7 compounds coded as <strong>1a-7a</strong> were prepared by a three-component reaction between 1-hydroxy-3H-benzo[<em>f</em>]chromen-3-one, malononitrile, and 1-benzylindoline-2,3-dione in ethanol under reflux condition and ultrasonic irradiation. Similarly, 10 compounds (<strong>1b-10b</strong>) of pyrano[3,2-<em>c</em>]chromene derivatives were prepared from the three-component reaction between 4-hydroxycoumarin, malononitrile, and aromatic aldehydes. Ionic liquid <strong>B</strong>_{<strong>2</strong>} was prepared for the first time and used as a catalyst. The nonchromatographic separation and purification of the products with high-yield productivity are the salient features of this protocol.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102241"},"PeriodicalIF":2.5,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143791138","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}