ACS Omega最新文献

{"title":"Transparent, Antibiofouling Window Obtained with Surface Nanostructuring","authors":"Wiktoria K. Szapoczka*,&nbsp;Viljar H. Larsen,&nbsp;Hanna Böpple,&nbsp;Dorinde M. M. Kleinegris,&nbsp;Zhaolu Diao,&nbsp;Tore Skodvin,&nbsp;Joachim P. Spatz,&nbsp;Bodil Holst and Peter J. Thomas*,&nbsp;","doi":"10.1021/acsomega.4c0303010.1021/acsomega.4c03030","DOIUrl":"https://doi.org/10.1021/acsomega.4c03030https://doi.org/10.1021/acsomega.4c03030","url":null,"abstract":"<p >Biofouling is one of the key factors which limits the long-term performance of seawater sensors. Common measures to hinder biofouling include toxic paints, mechanical cleaning and UV radiation. All of these measures have various limitations. A very attractive solution would be to prevent biofilm formation by changing the surface structure of the sensor. This idea has been implemented successfully in various settings, but little work has been done on structuring optically transparent materials, which are often needed in sensor applications. In order to achieve good antibiofouling properties and efficient optical transparency, the structuring must be on the nanoscale. Here, we investigate a transparent, antibiofouling surface obtained by patterning a semihexagonal nanohole structure on borosilicate glass. The nanoholes are approximately 50 nm in diameter and 200 nm deep, and the interparticle distance is 135 nm, allowing the structure to be optically transparent. The antibiofouling properties of the surface were tested by exposing the substrates to the microalgae <i>Phaeodactylum tricornutum</i> for four different time intervals. This species was chosen because it is common in the Norwegian coastal waters. The tests were compared with unstructured borosilicate glass substrates. The experiments show that the nanostructured surface exhibits excellent antibiofouling properties. We attribute this effect to the relative size between the structure and the biofouling microorganism. Specifically, the small dimensions of the nanoholes, compared to the biofouling microorganism, make it more difficult for the microalgae to attach. However, lubrication of the substrates with FC-70 perfluorocarbon resulted in contamination at a rate comparable to the reference substrate, possibly due to the chemical attractiveness of the alkane chains in FC-70 for the microalgae.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c03030","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142309998","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Flexible Wearable Trinotched UWB Antenna Printed with Silver Conductive Materials","authors":"Wendong Yang, Xi Cheng, Xun Zhao, Jia Wang","doi":"10.1021/acsomega.4c05071","DOIUrl":"https://doi.org/10.1021/acsomega.4c05071","url":null,"abstract":"The advancement of Internet of Things and associated technologies has led to the widespread usage of smart wearable devices, greatly boosting the demand for flexible antennas, which are critical electromagnetic components in such devices. Additive manufacturing technologies provide a feasible solution for the creation of wearable and flexible antennas. However, performance reliability under deformation and radiation safety near the human body are two issues that need to be solved for such antennas. Currently, there are few reports on compact, flexible ultrawideband (UWB) antennas with more notch numbers, reliable bendability, and radiation safety. In this paper, a UWB antenna with trinotched characteristics for wearable applications was proposed and developed using printable conductive silver materials consisting of silver microflakes or silver nanoparticles. The antenna has a compact size of 18 × 20 × 0.12 mm³ and adopts a gradient feeder and a radiation patch with three folding slots. It was fabricated on transparent and flexible poly(ethylene terephthalate) film substrates, using screen printing and inkjet printing. The measurement results demonstrated that the fabricated antennas could cover the UWB band (2.35–10.93 GHz) while efficiently filtering out interferences from the C-band downlink satellite system (3.43–4.21 GHz), wireless local area networks (4.66–5.29 GHz), and X-band uplink satellite system (6.73–8.02 GHz), which was consistent with the simulation results. The bendability and radiation safety of the antennas were evaluated, proving their feasibility for usage under bending conditions and near the human body. Additionally, it was found that the screen-printed antenna performed better after bending. The research is expected to provide guidance on designing flexible antennas that are both safe to wear and easily conformable.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":4.1,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142203495","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study on the Spontaneous Combustion Law of Coal Body around a Borehole Induced by Pre-extraction of Coalbed Methane","authors":"Jun Guo,&nbsp;Xuanchi Zhang*,&nbsp;Yin Liu,&nbsp;Guobin Cai,&nbsp;Hua Liu,&nbsp;Changming Chen and Lei Wang,&nbsp;","doi":"10.1021/acsomega.4c0267210.1021/acsomega.4c02672","DOIUrl":"https://doi.org/10.1021/acsomega.4c02672https://doi.org/10.1021/acsomega.4c02672","url":null,"abstract":"<p >To address the challenges associated with the high gas content, high pressure, and low permeability coefficient in deep coal seams, strategies such as infilling boreholes and increasing the negative pressure of extraction are commonly implemented to alleviate issues related to coalbed methane extraction. However, long-term mining pressure can lead to the development of cracks in the coal seam near the borehole, thereby creating air leakage channels, which could potentially impact the oxygen supply during the extraction process. This leads to secondary disasters such as the spontaneous combustion of coal and gas explosions, considerably impacting the life and health of underground workers. To solve this issue, a thermal–fluid–solid coupling model for the working surface was constructed based on numerical simulation software, taking into account the multimechanism coupling effect of coal seam gas. The laws of coal oxidation and spontaneous combustion induced by coalbed methane extraction around boreholes were studied. The variation laws of the oxygen concentration, coal temperature, and oxidation heating zone around the borehole under different extraction conditions were simulated and analyzed. The findings demonstrate that the negative extraction pressure enables the gas to penetrate the fracture zone of the borehole, leading to an increase in the oxygen consumption rate and coal temperature around the borehole with an increase in negative extraction pressure. The coal gas leakage surrounding the borehole reduces as the sealing depth increases, and both the heating rate of coal and oxygen volume fraction show a downward trend. The fitting relationship between the negative pressure of drainage, depth of sealing, and temperature change in the coal body surrounding the boreholes was identified. It was determined that the negative pressure of 13 kPa for borehole drainage and a sealing depth &gt;18 m are the optimal extraction parameters. The range of the oxidation zone and the position of the boundary line under this parameter were predicted, and the position function of the dangerous area of oxidation heating was defined. The research results have remarkable implications for the coordinated prevention and control of gas and coal spontaneous combustion in coalbed methane predrainage boreholes, as well as for efficient prevention and control of CO in on-site gas extraction boreholes, thus ensuring efficient and safe gas extraction.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c02672","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142309997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modeling and Optimization of Modified TiO2 with Aluminum and Magnesium as ETL in MAPbI3 Perovskite Solar Cells: SCAPS 1D Frameworks","authors":"Abdullahi Usman,&nbsp; and ,&nbsp;Thiti Bovornratanaraks*,&nbsp;","doi":"10.1021/acsomega.4c0450510.1021/acsomega.4c04505","DOIUrl":"https://doi.org/10.1021/acsomega.4c04505https://doi.org/10.1021/acsomega.4c04505","url":null,"abstract":"<p >The perovskite device, incorporating a modified nanostructure of TiO₂ as the electron transport layer, has been investigated to enhance its performance compared to the pure TiO₂ device. Various materials undergo electrochemical doping or treatment on TiO₂ to improve their photocatalytic application, thereby enhancing the current density, minimizing recombination, and improving device stability. In this study, a numerical SCAPS simulation was employed to validate experimental findings from the literature. According to the literature, this marks the first instance of doping Al³⁺ and Mg²⁺ on TiO₂ due to their ionic radius comparable to that of Ti⁴⁺, at different doping concentrations. The device was modeled and simulated with the experimental parameters of bandgap, series, and shunt resistances for pure TiO₂, aluminum-doped TiO₂ (Al-TiO₂), and magnesium-doped TiO₂ (Mg-TiO₂). From the validated results, the Al-TiO₂ and Mg-TiO₂-based devices’ configurations with minimum percentage errors of 0.427 and 2.771%, respectively, were selected and simulated across nearly 90 (90) configurations to determine the optimum device model. Optimizing absorber thickness, bandgap, doping concentration, metal electrode, as well as series and shunt resistance resulted in enhanced device performance. According to the proposed model, Al-TiO₂ and Mg-TiO₂ configurations achieved higher power conversion efficiency values of 19.260 and 19.860%, respectively. This improvement is attributed to the reduction in recombination rates through the injection of a higher photocurrent density.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c04505","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142309990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent Advances in Metal Oxide and Phosphate Nanomaterials Radiolabeling with Medicinal Nuclides","authors":"Tereza Janská, Michal Sakmár, Matěj Štíbr, Martin Vlk, Ján Kozempel","doi":"10.1021/acsomega.4c04145","DOIUrl":"https://doi.org/10.1021/acsomega.4c04145","url":null,"abstract":"The utilization of nanomaterials in biomedical applications has surged in recent years; yet, the transition from research to practical implementation remains a great challenge. However, a promising area of research has emerged with the integration of nanomaterials with diagnostic and therapeutic radionuclides. In this Review, we elucidate the motivations behind selecting metal oxide- and phosphate-based nanomaterials in conjunction with these radionuclides, while addressing its issues and limitations. Various metal oxide- and phosphate-based nanoparticles, exhibiting low toxicity and high tolerability, have been proposed for diverse biomedical applications, ranging from bone substitutes to drug delivery systems and controlled release vectors for pharmaceuticals, including radionuclides for nuclear medicine imaging and therapy. Moreover, the potential synergistic effects of multimodal combinational therapies, integrating chemotherapeutics, immunomodulators, or hyperthermia, underscore the versatility of these nanoconstructs. Our comprehensive exploration includes the underlying principles of radiolabeling strategies, the pivotal attributes of nanomaterial platforms, and their applications. Through this perspective, we present the potential of nanotechnology-enabled nuclear medicine. Furthermore, we discuss the potential systemic and local applications of these nanoconstructs, considering their <i>in vitro</i> and <i>in vivo</i> characteristics, as well as their physicochemical properties.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":4.1,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142203493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of Magnetic Behaviors of Au-NP-Decorated MWCNTs and Reduced Graphene Oxide for Biomedical Applications","authors":"Sekhar Chandra Ray, Dilip Kumar Mishra, Way-Faung Pong","doi":"10.1021/acsomega.4c05962","DOIUrl":"https://doi.org/10.1021/acsomega.4c05962","url":null,"abstract":"Optimization of electronic/magnetic behaviors of chemically decorated diamagnetic noble-metal gold nanoparticles (Au-NPs ≈5 at. %) on multiwalled carbon nanotubes (MWCNTs) and reduced graphene oxide (r-GO) is studied for future uses of optoelectronic/magnetic and biomedical applications. The changes between Au 4f_5/2 and Au 4f_7/2 ≈ 3.7 eV in X-ray photoelectron spectroscopy and 1.1 (±0.3) eV shifts in the C <i>K</i>-edge in X-ray absorption near edge structure spectroscopy confirm that the reduced form of Au⁰ was present in the Au-NP-decorated nanocomposites. The potential difference (ΔV) is built due to charge creations at the interface of r-GO/MWCNTs and Au-NPs and shifts in the Fermi level (Δ<i>E</i>_F) due to electronic transfer effects, and as a result, the work functions are reduced from 3.2 eV (MWCNTs) to 3.0 eV (MWCNTs:Au-NPs) and 3.1 (r-GO) to 2.8 eV (r-GO:Au-NPS), respectively. Negligible remanence/coercivity in MWCNTs/r-GO (/Au-NPs) with blocking temperature ≈300 K in MWCNTs:Au-NPs accounted for the existence of diamagnetic Au-NPs in these nanocomposites, which implies a superparamagnetic nature. These results furnish the evidence about the optimization of magnetic behaviors of r-GO/MWCNTs (/Au-NPs) that may possibly be altered as a novel contrast agent for clinical magnetic resonance imaging, drug delivery, and hyperthermia applications.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":4.1,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142203496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Transparent, Antibiofouling Window Obtained with Surface Nanostructuring","authors":"Wiktoria K. Szapoczka, Viljar H. Larsen, Hanna Böpple, Dorinde M. M. Kleinegris, Zhaolu Diao, Tore Skodvin, Joachim P. Spatz, Bodil Holst, Peter J. Thomas","doi":"10.1021/acsomega.4c03030","DOIUrl":"https://doi.org/10.1021/acsomega.4c03030","url":null,"abstract":"Biofouling is one of the key factors which limits the long-term performance of seawater sensors. Common measures to hinder biofouling include toxic paints, mechanical cleaning and UV radiation. All of these measures have various limitations. A very attractive solution would be to prevent biofilm formation by changing the surface structure of the sensor. This idea has been implemented successfully in various settings, but little work has been done on structuring optically transparent materials, which are often needed in sensor applications. In order to achieve good antibiofouling properties and efficient optical transparency, the structuring must be on the nanoscale. Here, we investigate a transparent, antibiofouling surface obtained by patterning a semihexagonal nanohole structure on borosilicate glass. The nanoholes are approximately 50 nm in diameter and 200 nm deep, and the interparticle distance is 135 nm, allowing the structure to be optically transparent. The antibiofouling properties of the surface were tested by exposing the substrates to the microalgae <i>Phaeodactylum tricornutum</i> for four different time intervals. This species was chosen because it is common in the Norwegian coastal waters. The tests were compared with unstructured borosilicate glass substrates. The experiments show that the nanostructured surface exhibits excellent antibiofouling properties. We attribute this effect to the relative size between the structure and the biofouling microorganism. Specifically, the small dimensions of the nanoholes, compared to the biofouling microorganism, make it more difficult for the microalgae to attach. However, lubrication of the substrates with FC-70 perfluorocarbon resulted in contamination at a rate comparable to the reference substrate, possibly due to the chemical attractiveness of the alkane chains in FC-70 for the microalgae.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":4.1,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142203492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization Analysis of In-Situ Conversion and Displacement in Continental Shale Reservoirs","authors":"Zhaobin Zhang*,&nbsp;Maryelin Josefina Briceño Montilla,&nbsp;Shouding Li*,&nbsp;Xiao Li and Yanzhi Hu,&nbsp;","doi":"10.1021/acsomega.4c0576410.1021/acsomega.4c05764","DOIUrl":"https://doi.org/10.1021/acsomega.4c05764https://doi.org/10.1021/acsomega.4c05764","url":null,"abstract":"<p >In the context of growing global energy demands and the need for efficient extraction techniques, this research, based on numerical analysis, addresses the high-energy demands of in situ conversion by introducing a two-stage development strategy. The strategy begins with an initial continuous heating stage, followed by a thermal stabilization stage. It culminates in a hydrocarbon production stage, which is divided into primary recovery and water injection-enhanced recovery. The findings demonstrate that the reservoir temperature continues to increase even after the stop of heating. Consequently, the reactions within the reservoir persist, leading to increased hydrocarbon generation. The heating stage also helps restore reservoir pressure, enabling high production rates of hydrocarbons during the first year of primary recovery. However, natural depletion subsequently occurs, requiring an enhanced oil recovery (EOR) method. While water injection is a viable EOR method, it proves less effective due to high water breakthroughs in the producer well. Additionally, a comprehensive analysis reveals that hydrocarbon generation and production are closely related to the calibration of energy input and the duration of injection. These results underscore the critical importance of precise energy management and injection timing in optimizing hydrocarbon recovery. By enhancing our understanding of the thermal dynamics and reaction kinetics within the reservoir, this research contributes to the development of more efficient and sustainable extraction technologies, ultimately improving the feasibility of commercial shale oil production.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c05764","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142309992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Highly Sensitive Potentiometric pH Sensor Based on Polyaniline Modified Carbon Fiber Cloth for Food and Pharmaceutical Applications","authors":"Md. Sanwar Hossain,&nbsp;Narayanasamy Padmanathan,&nbsp;Md. Mizanur R. Badal,&nbsp;Kafil M. Razeeb* and Mamun Jamal*,&nbsp;","doi":"10.1021/acsomega.4c0609010.1021/acsomega.4c06090","DOIUrl":"https://doi.org/10.1021/acsomega.4c06090https://doi.org/10.1021/acsomega.4c06090","url":null,"abstract":"<p >This study introduces a potentiometric pH sensor that is extremely sensitive and specifically designed for food and pharmaceutical applications. The sensor utilizes a pH-sensitive interface fabricated by electropolymerizing polyaniline (PANI) on carbon fiber cloth (CFC). Structural and morphological analyses of PANI-CFC and CFC have been conducted by using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and X-ray photoelectron spectroscopy (XPS). The investigation of the functional groups was conducted by using Fourier transform infrared spectroscopy (FTIR) and Raman spectroscopy. The electrochemical characteristics were assessed by utilization of cyclic voltammetry (CV) and open-circuit potential (OCP) measurements in a three-electrode configuration. The sensor exhibited a sensitivity of 60.9 mV/pH, while retaining consistent performance within the pH range of 4 to 12. The repeatability and robustness of the sensors were verified. The accuracy of the PANI-CFC sensor was confirmed by validation using real samples, demonstrating its compatibility with commercially available pH sensors. The application of density functional theory (DFT) calculations revealed an interaction energy of −173.2886 kcal/mol, indicating a strong affinity of H⁺ ions towards PANI-CFC electrode. Further investigation was conducted to examine the chemical reactivity of PANI, revealing a HOMO–LUMO energy gap of −0.98 eV. This study highlights the PANI-CFC sensor as a reliable and efficient pH-sensing platform for food and pharmaceuticals applications, performing robustly in both laboratory and real-world settings.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06090","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142310224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Characterization of Mycobacterium smegmatis Glutaminase-Free Asparaginase (MSMEG_3173)","authors":"Paloma Rezende Corrêa,&nbsp;Marcos Gustavo Araujo Schwarz*,&nbsp;Deborah Antunes,&nbsp;Sindy Licette Piñero,&nbsp;Marlon Castro Silva,&nbsp;Mayra Mangabeira Crescêncio,&nbsp;Ana Carolina Ramos Guimarães,&nbsp;Wim Maurits Degrave and Leila Mendonça-Lima,&nbsp;","doi":"10.1021/acsomega.4c0645910.1021/acsomega.4c06459","DOIUrl":"https://doi.org/10.1021/acsomega.4c06459https://doi.org/10.1021/acsomega.4c06459","url":null,"abstract":"<p ><span>l</span>-asparaginase is an enzyme catalyzing the hydrolysis of <span>l</span>-asparagine into <span>l</span>-aspartate and ammonia, which is of great therapeutic importance in tumor treatment. However, commercially available enzymes are associated with adverse effects, and searching for a new <span>l</span>-asparaginase with better pharmaceutical properties was the aim of this work. The coding sequence for <i>Mycobacterium smegmatis</i> <span>l</span>-asparaginase (MsA) was cloned and expressed. The recombinant protein showed high activity toward <span>l</span>-asparagine, whereas none was detected for <span>l</span>-glutamine. The enzymatic properties (<i>K</i>_m = 1.403 ± 0.24 mM and <i>k</i>_cat = 708.1 ± 25.05 s^–1) indicate that the enzyme would be functional within the expected blood <span>l</span>-asparagine concentration, with good activity, as shown by <i>k</i>_cat. The pH and temperature profiles suggest its use as a biopharmaceutical in humans. Molecular dynamics analysis of the MsA model reveals the formation of a hydrogen bond network involving catalytic residues with <span>l</span>-asparagine. However, the same is not observed with <span>l</span>-glutamine, mainly due to steric hindrance. Additionally, the structural feature of residue 119 being a serine rather than a proline has significant implications. These findings help explain the low glutaminase activity observed in MsA, like what is described for the <i>Wolinella succinogenes</i> enzyme. This establishes mycobacterial asparaginases as key scaffolds to develop biopharmaceuticals against acute lymphocytic leukemia.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06459","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142310227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}