Pub Date : 2024-07-05DOI: 10.1007/s11356-024-34124-w
Verena Gerstle, Eric Bollinger, Alessandro Manfrin, Sebastian Pietz, Sara Kolbenschlag, Alexander Feckler, Martin H Entling, Carsten A Brühl
Chironomid (Diptera: Chironomidae) larvae play a key role in aquatic food webs as prey for predators like amphibian and dragonfly larvae. This trophic link may be disrupted by anthropogenic stressors such as Bacillus thuringiensis var. israelensis (Bti), a biocide widely used in mosquito control. In a companion study, we recorded a 41% reduction of non-target larval chironomids abundance in outdoor floodplain pond mesocosms (FPMs) treated with Bti. Therefore, we examined the diet of two top predators in the FPMs, larvae of the palmate newt (Salamandridae: Lissotriton helveticus) and dragonfly (Aeshnidae: predominantly Anax imperator), using bulk stable isotope analyses of carbon and nitrogen. Additionally, we determined neutral lipid fatty acids in newt larvae to assess diet-related effects on their physiological condition. We did not find any effects of Bti on the diet proportions of newt larvae and no significant effects on the fatty acid content. We observed a trend in Aeshnidae larvae from Bti-FPMs consuming a higher proportion of large prey (Aeshnidae, newt, damselfly larvae; ~42%), and similar parts of smaller prey (chironomid, mayfly, Libellulidae, and zooplankton), compared to controls. Our findings may suggest bottom-up effects of Bti on aquatic predators but should be further evaluated, for instance, by using compound-specific stable isotope analyses of fatty acids or metabarcoding approaches.
{"title":"Trophic effects of Bti-based mosquito control on two top predators in floodplain pond mesocosms.","authors":"Verena Gerstle, Eric Bollinger, Alessandro Manfrin, Sebastian Pietz, Sara Kolbenschlag, Alexander Feckler, Martin H Entling, Carsten A Brühl","doi":"10.1007/s11356-024-34124-w","DOIUrl":"https://doi.org/10.1007/s11356-024-34124-w","url":null,"abstract":"<p><p>Chironomid (Diptera: Chironomidae) larvae play a key role in aquatic food webs as prey for predators like amphibian and dragonfly larvae. This trophic link may be disrupted by anthropogenic stressors such as Bacillus thuringiensis var. israelensis (Bti), a biocide widely used in mosquito control. In a companion study, we recorded a 41% reduction of non-target larval chironomids abundance in outdoor floodplain pond mesocosms (FPMs) treated with Bti. Therefore, we examined the diet of two top predators in the FPMs, larvae of the palmate newt (Salamandridae: Lissotriton helveticus) and dragonfly (Aeshnidae: predominantly Anax imperator), using bulk stable isotope analyses of carbon and nitrogen. Additionally, we determined neutral lipid fatty acids in newt larvae to assess diet-related effects on their physiological condition. We did not find any effects of Bti on the diet proportions of newt larvae and no significant effects on the fatty acid content. We observed a trend in Aeshnidae larvae from Bti-FPMs consuming a higher proportion of large prey (Aeshnidae, newt, damselfly larvae; ~42%), and similar parts of smaller prey (chironomid, mayfly, Libellulidae, and zooplankton), compared to controls. Our findings may suggest bottom-up effects of Bti on aquatic predators but should be further evaluated, for instance, by using compound-specific stable isotope analyses of fatty acids or metabarcoding approaches.</p>","PeriodicalId":545,"journal":{"name":"Environmental Science and Pollution Research","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141533254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-05DOI: 10.1007/s00894-024-06014-y
V P Vinturaj, Ashish Kumar Yadav, Rohit Singh, Vivek Garg, Ritesh Bhardwaj, K M Ajith, Sushil Kumar Pandey
Context: Carbon monoxide, also known as the "silent killer," is a colorless, odorless, tasteless, and non-irritable gas that, when inhaled, enters the bloodstream and lungs, binds with the hemoglobin, and blocks oxygen from reaching tissues and cells. In this work, the monolayer MoSe2-based CO gas sensors were designed using density functional theory calculation with several dopants including Al, Au, Pd, Ni, Cu, and P. Here, Cu and P were found to be the best dopants, with adsorption energies of -0.67 eV (Cu) and -0.54 eV (P) and recovery times of 1.66 s and 13.8 ms respectively. Cu conductivity for CO adsorption was found to be 2.74 times that of CO2 adsorption in the 1.0-2.26 eV range. P displayed the highest selectivity, followed by Pd and Ni. The dopants, Pd and Ni, were found suitable for building CO gas scavengers due to their high recovery times of 9.76 × 1020 s and 2.47 × 1011 s. Similarly, the adsorption of CO2 on doped monolayer MoSe2 was also investigated. In this study, it is found that monolayer MoSe2 could be employed to create high-performance CO sensors in a CO2-rich environment.
Method: The electrical characteristics of all doped MoSe2 monolayers are obtained using a DFT calculation with the PBE-GGA method from the Quantum ESPRESSO package. The self-consistent field (SCF) computations were performed using a 7 × 7 × 1 k-point grid and a norm-conserving pseudo potential (NCPP) file. To determine electrical conductivity, the semi-classical version of Boltzmann transport theory, implemented in the Boltz Trap code, was used.
背景:一氧化碳又称 "无声杀手",是一种无色、无臭、无味、无刺激性的气体,吸入人体后会进入血液和肺部,与血红蛋白结合,阻碍氧气进入组织和细胞。在这项工作中,利用密度泛函理论计算设计了基于 MoSe2 的单层一氧化碳气体传感器,其中使用了多种掺杂剂,包括 Al、Au、Pd、Ni、Cu 和 P。在此发现,Cu 和 P 是最佳掺杂剂,其吸附能量分别为 -0.67 eV(Cu)和 -0.54 eV(P),恢复时间分别为 1.66 s 和 13.8 ms。在 1.0-2.26 eV 范围内,Cu 对 CO 的吸附电导率是 CO2 吸附电导率的 2.74 倍。P 的选择性最高,其次是 Pd 和 Ni。掺杂剂 Pd 和 Ni 的高回收时间分别为 9.76 × 1020 s 和 2.47 × 1011 s,因此适合用于制造 CO 气体清除剂。本研究发现,单层 MoSe2 可用于在富含二氧化碳的环境中制造高性能的一氧化碳传感器:方法:使用量子 ESPRESSO 软件包中的 PBE-GGA 方法进行 DFT 计算,获得了所有掺杂 MoSe2 单层的电学特性。自洽场(SCF)计算采用 7 × 7 × 1 k 点网格和规范保守伪电势(NCPP)文件。为了确定导电率,使用了半经典版本的波尔兹曼输运理论,该理论在 Boltz Trap 代码中实现。
{"title":"A DFT study of the adsorption behavior and sensing properties of CO gas on monolayer MoSe<sub>2</sub> in CO<sub>2</sub>-rich environment.","authors":"V P Vinturaj, Ashish Kumar Yadav, Rohit Singh, Vivek Garg, Ritesh Bhardwaj, K M Ajith, Sushil Kumar Pandey","doi":"10.1007/s00894-024-06014-y","DOIUrl":"https://doi.org/10.1007/s00894-024-06014-y","url":null,"abstract":"<p><strong>Context: </strong>Carbon monoxide, also known as the \"silent killer,\" is a colorless, odorless, tasteless, and non-irritable gas that, when inhaled, enters the bloodstream and lungs, binds with the hemoglobin, and blocks oxygen from reaching tissues and cells. In this work, the monolayer MoSe<sub>2</sub>-based CO gas sensors were designed using density functional theory calculation with several dopants including Al, Au, Pd, Ni, Cu, and P. Here, Cu and P were found to be the best dopants, with adsorption energies of -0.67 eV (Cu) and -0.54 eV (P) and recovery times of 1.66 s and 13.8 ms respectively. Cu conductivity for CO adsorption was found to be 2.74 times that of CO<sub>2</sub> adsorption in the 1.0-2.26 eV range. P displayed the highest selectivity, followed by Pd and Ni. The dopants, Pd and Ni, were found suitable for building CO gas scavengers due to their high recovery times of 9.76 × 10<sup>20</sup> s and 2.47 × 10<sup>11</sup> s. Similarly, the adsorption of CO<sub>2</sub> on doped monolayer MoSe<sub>2</sub> was also investigated. In this study, it is found that monolayer MoSe<sub>2</sub> could be employed to create high-performance CO sensors in a CO<sub>2</sub>-rich environment.</p><p><strong>Method: </strong>The electrical characteristics of all doped MoSe<sub>2</sub> monolayers are obtained using a DFT calculation with the PBE-GGA method from the Quantum ESPRESSO package. The self-consistent field (SCF) computations were performed using a 7 × 7 × 1 k-point grid and a norm-conserving pseudo potential (NCPP) file. To determine electrical conductivity, the semi-classical version of Boltzmann transport theory, implemented in the Boltz Trap code, was used.</p>","PeriodicalId":651,"journal":{"name":"Journal of Molecular Modeling","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141533256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-05DOI: 10.1007/s00894-024-06041-9
Yuanyuan Zhang, Xiaolei Yan, Ahmed Mahal, Shelesh Krishna Saraswat, Harpreet Kaur, Ahmad J Obaidullah, Yazen M Alawaideh, Talib Kh Hussein, Ahmed Elawady
Context: Various toxic gasses are being released into the environment with the increasing industrialization. However, detecting these gasses at low concentrations has become one of the main challenges in environmental monitoring and protection. Thus, developing sensors with high performance to detect toxic gasses is of utmost significance. For this purpose, researchers have introduced 2D materials thanks to their unique electronic qualities and large specific surface area. Within this piece of research, a hexagonal boron phosphide monolayer (h-BPML) is employed as the substrate material. The adhesion behavior of ambient nitrogen-containing toxic gasses, i.e., N2O, NH3, NO2, and NO, onto the h-BPML is investigated through DFT computations. The adhesion energy values for gasses NO and NO2 were calculated to be - 0.509 and - 0.694 eV on the h-BPML, respectively. Meanwhile, the absorbed energy values for gasses NH3 and N2O were found to be - 0.326 and - 0.119 eV, respectively. The recovery time, DOS, workfunction, and Bader charges were computed based on four optimal adhesion structures. After the absorption of NO on the h-BPML, the value of workfunction of a monolayer decreased from 1.54 to 0.47 eV. This amount of decrease was the greatest among the other gasses absorbed. By comparing the investigated parameters, it can be concluded that the h-BPML has a greater tendency to interact with NO gas compared to other gasses, and it can be proposed as a sensor for NO gas.
Method: Within this piece of research, the sensitivity of the h-BPML to four nitrogenous toxic gasses, namely, N2O, NH3, NO2, and NO, was investigated using the DFT with HSE06 hybrid functional by using GAMESS software. For this purpose, we computed the DOS, workfunction, and the Bader charges for the four adhesion systems with most stability.
{"title":"Selective adhesion of nitrogen-containing toxic gasses on hexagonal boron phosphide monolayer: a computational study.","authors":"Yuanyuan Zhang, Xiaolei Yan, Ahmed Mahal, Shelesh Krishna Saraswat, Harpreet Kaur, Ahmad J Obaidullah, Yazen M Alawaideh, Talib Kh Hussein, Ahmed Elawady","doi":"10.1007/s00894-024-06041-9","DOIUrl":"https://doi.org/10.1007/s00894-024-06041-9","url":null,"abstract":"<p><strong>Context: </strong>Various toxic gasses are being released into the environment with the increasing industrialization. However, detecting these gasses at low concentrations has become one of the main challenges in environmental monitoring and protection. Thus, developing sensors with high performance to detect toxic gasses is of utmost significance. For this purpose, researchers have introduced 2D materials thanks to their unique electronic qualities and large specific surface area. Within this piece of research, a hexagonal boron phosphide monolayer (h-BPML) is employed as the substrate material. The adhesion behavior of ambient nitrogen-containing toxic gasses, i.e., N<sub>2</sub>O, NH<sub>3</sub>, NO<sub>2</sub>, and NO, onto the h-BPML is investigated through DFT computations. The adhesion energy values for gasses NO and NO<sub>2</sub> were calculated to be - 0.509 and - 0.694 eV on the h-BPML, respectively. Meanwhile, the absorbed energy values for gasses NH<sub>3</sub> and N<sub>2</sub>O were found to be - 0.326 and - 0.119 eV, respectively. The recovery time, DOS, workfunction, and Bader charges were computed based on four optimal adhesion structures. After the absorption of NO on the h-BPML, the value of workfunction of a monolayer decreased from 1.54 to 0.47 eV. This amount of decrease was the greatest among the other gasses absorbed. By comparing the investigated parameters, it can be concluded that the h-BPML has a greater tendency to interact with NO gas compared to other gasses, and it can be proposed as a sensor for NO gas.</p><p><strong>Method: </strong>Within this piece of research, the sensitivity of the h-BPML to four nitrogenous toxic gasses, namely, N<sub>2</sub>O, NH<sub>3</sub>, NO<sub>2</sub>, and NO, was investigated using the DFT with HSE06 hybrid functional by using GAMESS software. For this purpose, we computed the DOS, workfunction, and the Bader charges for the four adhesion systems with most stability.</p>","PeriodicalId":651,"journal":{"name":"Journal of Molecular Modeling","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141533266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-05DOI: 10.1007/s11356-024-34172-2
Raveena Indwar, Umank Mishra, Abhyuday Titiksh
Geopolymer concrete (GPC) utilizes industrial wastes such as fly ash, bottom, ash, and slag instead of conventional Portland cement as the primary binder, and thus promote a sustainable solution for bulk concrete works. Nanomaterials (NMs) have often been linked with developing these sustainable high-strength mixes. Furthermore, NMs have been proven to imbibe enhanced physio-mechanical properties, often eliminating the need for thermal curing. This not only reduces total energy demand for concrete production but also offers enhanced durability due to denser inter-particle packing of the mix. This review meticulously summarizes the performance of GPCs dosed with different types of NMs including nano-silica (NS), nano-alumina (NA), nano-titanium di oxide (NT), nano-clay (NC), nano-graphene oxide (NG), and carbon nanotubes (CNT). The reported findings of previous studies were carefully studied and compiled in a systematic manner in terms of physio-mechanical, durability, and microstructural properties. It was observed that addition of NM, in general, leads to a slight reduction in the mix's workability; however, the same can be counteracted by use of suitable superplasticizers. Furthermore, inclusion of NMs in GPC offers the distinct advantage of high density and impermeability, resulting in enhanced mechanical and durability characteristics. Two distinct multi-criteria decision making (MCDM) techniques were employed in this study to statistically analyze the most preferred NM for GPC. It was found that addition of NS (2%) yields the most desirable outcomes. Finally, limitations and challenges associated with production of NM dosed GPC along with scopes for future works are presented toward the end of this review.
{"title":"Geopolymer concrete containing nanomaterials-a step toward sustainable construction.","authors":"Raveena Indwar, Umank Mishra, Abhyuday Titiksh","doi":"10.1007/s11356-024-34172-2","DOIUrl":"https://doi.org/10.1007/s11356-024-34172-2","url":null,"abstract":"<p><p>Geopolymer concrete (GPC) utilizes industrial wastes such as fly ash, bottom, ash, and slag instead of conventional Portland cement as the primary binder, and thus promote a sustainable solution for bulk concrete works. Nanomaterials (NMs) have often been linked with developing these sustainable high-strength mixes. Furthermore, NMs have been proven to imbibe enhanced physio-mechanical properties, often eliminating the need for thermal curing. This not only reduces total energy demand for concrete production but also offers enhanced durability due to denser inter-particle packing of the mix. This review meticulously summarizes the performance of GPCs dosed with different types of NMs including nano-silica (NS), nano-alumina (NA), nano-titanium di oxide (NT), nano-clay (NC), nano-graphene oxide (NG), and carbon nanotubes (CNT). The reported findings of previous studies were carefully studied and compiled in a systematic manner in terms of physio-mechanical, durability, and microstructural properties. It was observed that addition of NM, in general, leads to a slight reduction in the mix's workability; however, the same can be counteracted by use of suitable superplasticizers. Furthermore, inclusion of NMs in GPC offers the distinct advantage of high density and impermeability, resulting in enhanced mechanical and durability characteristics. Two distinct multi-criteria decision making (MCDM) techniques were employed in this study to statistically analyze the most preferred NM for GPC. It was found that addition of NS (2%) yields the most desirable outcomes. Finally, limitations and challenges associated with production of NM dosed GPC along with scopes for future works are presented toward the end of this review.</p>","PeriodicalId":545,"journal":{"name":"Environmental Science and Pollution Research","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141533225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A family of inorganic-organic hybrid crystalline materials made up of organic ligands and metal cations or clusters is known as metal-organic frameworks (MOFs). Because of their unique stability, intriguing characteristics, and structural diversity, zirconium-based MOFs (Zr-MOFs) are regarded as one of the most interesting families of MOF materials for real-world applications. Zr-MOFs that have the ligands, metal nodes, and guest molecules enclosed show distinct electrochemical reactions. They can successfully and sensitively identify a wide range of substances, which is important for both environmental preservation and human health. The rational design and synthesis of Zr-MOF electrochemical sensors and biosensors, as well as their applications in the detection of drugs, biomarkers, pesticides, food additives, hydrogen peroxide, and other materials, are the main topics of this comprehensive review. We also touch on the current issues and potential future paths for Zr-MOF electrochemical sensor research.
{"title":"A comprehensive review of the application of Zr-based metal-organic frameworks for electrochemical sensors and biosensors.","authors":"Hossein Khosropour, Mansoureh Keramat, Federico Tasca, Wanida Laiwattanapaisal","doi":"10.1007/s00604-024-06515-w","DOIUrl":"https://doi.org/10.1007/s00604-024-06515-w","url":null,"abstract":"<p><p>A family of inorganic-organic hybrid crystalline materials made up of organic ligands and metal cations or clusters is known as metal-organic frameworks (MOFs). Because of their unique stability, intriguing characteristics, and structural diversity, zirconium-based MOFs (Zr-MOFs) are regarded as one of the most interesting families of MOF materials for real-world applications. Zr-MOFs that have the ligands, metal nodes, and guest molecules enclosed show distinct electrochemical reactions. They can successfully and sensitively identify a wide range of substances, which is important for both environmental preservation and human health. The rational design and synthesis of Zr-MOF electrochemical sensors and biosensors, as well as their applications in the detection of drugs, biomarkers, pesticides, food additives, hydrogen peroxide, and other materials, are the main topics of this comprehensive review. We also touch on the current issues and potential future paths for Zr-MOF electrochemical sensor research.</p>","PeriodicalId":705,"journal":{"name":"Microchimica Acta","volume":null,"pages":null},"PeriodicalIF":5.3,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141533270","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-05DOI: 10.1007/s00604-024-06517-8
Ye Chen, Feixiong Chen
Surface functionalization strategy is becoming a crucial bridge from magnetic nanoparticles (MNPs) to their broad bio-application. To realize the multiple functions of MNPs such as magnetic manipulation, target capture, and signal amplification in their use of electrochemical biosensing, co-crosslinking strategy was proposed here to construct dual-functionalized MNPs by combining ultra-sensitive redox moieties and specific biological probes. In this work, MNPs with a TEM size of 10 nm were synthesized by co-precipitation for amination and PEGylation to maintain colloid stability once dispersed in high-ionic-strength buffer (such as phosphate-buffered saline). Then, MNPs@IgG were prepared via the bis(sulfosuccinimidyl) suberate (BS3) cross-linker to conjugate these IgG onto the MNP surface, with a binding efficiency of 73%. To construct dual-functionalized MNPs, these redox probes of ferrocene-NHS (Fc) were co-crosslinked onto the MNP surface, together with IgG, by using BS3. The developed MNPs@Redox@IgG were characterized by SDS‒PAGE to identify IgG binding and by square wave voltammetry (SWV) to validate the redox signal. Additionally, the anti-CD63 antibodies were selected for the development of MNPs@anti-CD63 for use in the bio-testing of exosome sample capture. Therefore, co-crosslinking strategy paved a way to develop dual-functionalized MNPs that can be an aid of their potential utilization in diagnostic assay or electrochemical methods.
{"title":"Co-crosslinking strategy for dual functionalization of small magnetic nanoparticles with redox probes and biological probes.","authors":"Ye Chen, Feixiong Chen","doi":"10.1007/s00604-024-06517-8","DOIUrl":"https://doi.org/10.1007/s00604-024-06517-8","url":null,"abstract":"<p><p>Surface functionalization strategy is becoming a crucial bridge from magnetic nanoparticles (MNPs) to their broad bio-application. To realize the multiple functions of MNPs such as magnetic manipulation, target capture, and signal amplification in their use of electrochemical biosensing, co-crosslinking strategy was proposed here to construct dual-functionalized MNPs by combining ultra-sensitive redox moieties and specific biological probes. In this work, MNPs with a TEM size of 10 nm were synthesized by co-precipitation for amination and PEGylation to maintain colloid stability once dispersed in high-ionic-strength buffer (such as phosphate-buffered saline). Then, MNPs@IgG were prepared via the bis(sulfosuccinimidyl) suberate (BS3) cross-linker to conjugate these IgG onto the MNP surface, with a binding efficiency of 73%. To construct dual-functionalized MNPs, these redox probes of ferrocene-NHS (Fc) were co-crosslinked onto the MNP surface, together with IgG, by using BS3. The developed MNPs@Redox@IgG were characterized by SDS‒PAGE to identify IgG binding and by square wave voltammetry (SWV) to validate the redox signal. Additionally, the anti-CD63 antibodies were selected for the development of MNPs@anti-CD63 for use in the bio-testing of exosome sample capture. Therefore, co-crosslinking strategy paved a way to develop dual-functionalized MNPs that can be an aid of their potential utilization in diagnostic assay or electrochemical methods.</p>","PeriodicalId":705,"journal":{"name":"Microchimica Acta","volume":null,"pages":null},"PeriodicalIF":5.3,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141533304","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-04DOI: 10.1007/s11356-024-34083-2
Claudia Belviso, Maura Mancinelli, Maryam Abdolrahimi, Michela Sturini, Francesco Cavalcante, Antonio Lettino, Davide Peddis
Solid waste resulting from bauxite ore (red mud) was converted into useful products consisting in hydrogarnet together with zeolite. Red mud (RM) transformation from disposal material into new source was carried out using potassium hydroxide as an activator and hydrothermal process (HY) or vapor phase crystallization (VPC) approach. HY process was performed at 60, 90, and 130 °C whereas during the VPC method, red mud was contacted only with vapor from the distilled water heated at 60 and 90 °C. The results indicate the formation of katoite and zeolite L (LTL topology) with both approaches. All the synthetic products display magnetic properties. In addition, a preliminary investigation on arsenic removal from drinking water (from 59 to 86%), makes the synthetic materials appealing for environmental applications. Finally, the synthesis of a large amount of very useful newly-formed phases using vapor molecules confirms the efficiency of the innovative and green VPC process in waste material transformation.
{"title":"Red mud treated with KOH: synthesis of sustainable materials from waste for water treatment.","authors":"Claudia Belviso, Maura Mancinelli, Maryam Abdolrahimi, Michela Sturini, Francesco Cavalcante, Antonio Lettino, Davide Peddis","doi":"10.1007/s11356-024-34083-2","DOIUrl":"https://doi.org/10.1007/s11356-024-34083-2","url":null,"abstract":"<p><p>Solid waste resulting from bauxite ore (red mud) was converted into useful products consisting in hydrogarnet together with zeolite. Red mud (RM) transformation from disposal material into new source was carried out using potassium hydroxide as an activator and hydrothermal process (HY) or vapor phase crystallization (VPC) approach. HY process was performed at 60, 90, and 130 °C whereas during the VPC method, red mud was contacted only with vapor from the distilled water heated at 60 and 90 °C. The results indicate the formation of katoite and zeolite L (LTL topology) with both approaches. All the synthetic products display magnetic properties. In addition, a preliminary investigation on arsenic removal from drinking water (from 59 to 86%), makes the synthetic materials appealing for environmental applications. Finally, the synthesis of a large amount of very useful newly-formed phases using vapor molecules confirms the efficiency of the innovative and green VPC process in waste material transformation.</p>","PeriodicalId":545,"journal":{"name":"Environmental Science and Pollution Research","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141496795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-04DOI: 10.1007/s12010-024-04997-1
Meltem Boran, Elif Erdogan Eliuz, Deniz Ayas
This study was aimed to create a bioactive hydrogel form with PVA/PVP (polyvinyl alcohol/poly(N-vinylpyrrolidone) polymer using acetone and ethanol extractions of Jania rubens red algae and investigate some pharmaceutical properties. The anti-candidal activity and some inhibition performance of J. rubens/PVA/PVP hydrogel were investigated on Candida tropicalis which is one of the important causes of bloodstream infections. The physicochemical properties of J. rubens/PVA/PVP hydrogel were revealed using FTIR and swelling-absorption tests. The volatile compounds of J. rubens extracts were examined by GCMS. By mixing the extracts in equal proportions, PVA/PVP-based hydrogel was prepared. According to the results, Cumulative Drug Release was stable at 25 °C for the first 5 h. The IZ (inhibition zone) and MIC (minimum inhibitory concentration) of J. rubens/PVA/PVP hydrogel were 9.01 mm and 80.20 mg/mL, respectively. It was found that logarithmic reduction and percent reduction were seen as 1.5 CFU/mL and 97.5%, respectively, on C. tropicalis exposed to J. rubens/PVA/PVP hydrogel in the first 5 min of the incubation. After exposure of C. tropicalis to J. rubens/PVA/PVP, the number of viable cells transferred from the gel to water was between 76.1 and 73.1% in high glucose medium, while it was between 92.2 and 80.8% for the PVA/PVP hydrogel under the same conditions. As a result, PVA/PVP hydrogel was made bioactive with J. rubens extracts for the first time in this study, and its potential for use as a functional anticandidal hydrogel on C. tropicalis has been demonstrated.
本研究的目的是利用丙酮和乙醇提取的红藻 Jania rubens,用 PVA/PVP(聚乙烯醇/聚 N-乙烯基吡咯烷酮)聚合物制成一种生物活性水凝胶,并研究其一些药用特性。研究了 J. rubens/PVA/PVP 水凝胶对热带念珠菌的抗念珠菌活性和某些抑制性能,热带念珠菌是血液感染的重要原因之一。利用傅立叶变换红外光谱和膨胀吸收试验揭示了 J. rubens/PVA/PVP 水凝胶的理化性质。利用 GCMS 对红柳桉提取物中的挥发性化合物进行了检测。将提取物等比例混合后,制备了基于 PVA/PVP 的水凝胶。结果表明,累积药物释放在 25 °C 下的前 5 小时内是稳定的。J. rubens/PVA/PVP 水凝胶的抑制区(IZ)和最小抑制浓度(MIC)分别为 9.01 mm 和 80.20 mg/mL。研究发现,在培养的最初 5 分钟内,热带褐藻菌暴露于 J. rubens/PVA/PVP 水凝胶的对数减少率和百分比减少率分别为 1.5 CFU/mL 和 97.5%。热带褐藻暴露于 J. rubens/PVA/PVP 水凝胶后,在高葡萄糖培养基中,从凝胶转移到水中的存活细胞数在 76.1% 到 73.1% 之间,而在相同条件下,PVA/PVP 水凝胶的存活细胞数在 92.2% 到 80.8% 之间。因此,本研究首次用 J. rubens 提取物制成了具有生物活性的 PVA/PVP 水凝胶,并证明了其作为热带褐藻功能性抗念珠菌水凝胶的潜力。
{"title":"The Anti-candidal and Absorbtion Performance of PVA/PVP-Based Jania rubens Hydrogel on Candida tropicalis and Some Physicochemical Properties of the Hydrogel.","authors":"Meltem Boran, Elif Erdogan Eliuz, Deniz Ayas","doi":"10.1007/s12010-024-04997-1","DOIUrl":"https://doi.org/10.1007/s12010-024-04997-1","url":null,"abstract":"<p><p>This study was aimed to create a bioactive hydrogel form with PVA/PVP (polyvinyl alcohol/poly(N-vinylpyrrolidone) polymer using acetone and ethanol extractions of Jania rubens red algae and investigate some pharmaceutical properties. The anti-candidal activity and some inhibition performance of J. rubens/PVA/PVP hydrogel were investigated on Candida tropicalis which is one of the important causes of bloodstream infections. The physicochemical properties of J. rubens/PVA/PVP hydrogel were revealed using FTIR and swelling-absorption tests. The volatile compounds of J. rubens extracts were examined by GCMS. By mixing the extracts in equal proportions, PVA/PVP-based hydrogel was prepared. According to the results, Cumulative Drug Release was stable at 25 °C for the first 5 h. The IZ (inhibition zone) and MIC (minimum inhibitory concentration) of J. rubens/PVA/PVP hydrogel were 9.01 mm and 80.20 mg/mL, respectively. It was found that logarithmic reduction and percent reduction were seen as 1.5 CFU/mL and 97.5%, respectively, on C. tropicalis exposed to J. rubens/PVA/PVP hydrogel in the first 5 min of the incubation. After exposure of C. tropicalis to J. rubens/PVA/PVP, the number of viable cells transferred from the gel to water was between 76.1 and 73.1% in high glucose medium, while it was between 92.2 and 80.8% for the PVA/PVP hydrogel under the same conditions. As a result, PVA/PVP hydrogel was made bioactive with J. rubens extracts for the first time in this study, and its potential for use as a functional anticandidal hydrogel on C. tropicalis has been demonstrated.</p>","PeriodicalId":465,"journal":{"name":"Applied Biochemistry and Biotechnology","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141496702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-04DOI: 10.1007/s00216-024-05409-3
Maria Miguel Coelho, Rita Lima, Ana Sofia Almeida, Pedro Alexandrino Fernandes, Fernando Remião, Carla Fernandes, Maria Elizabeth Tiritan
"Purple Drank", a soft drink containing promethazine (PMZ) and codeine (COD), has gained global popularity for its hallucinogenic effects. Consuming large amounts of this combination can lead to potentially fatal events. The binding of these drugs to plasma proteins can exacerbate the issue by increasing the risk of drug interactions, side effects, and/or toxicity. Herein, the binding affinity to human serum albumin (HSA) of PMZ and its primary metabolites [N-desmethyl promethazine (DMPMZ) and promethazine sulphoxide (PMZSO)], along with COD, was investigated by high-performance affinity chromatography (HPAC) though zonal approach. PMZ and its metabolites exhibited a notable binding affinity for HSA (%b values higher than 80%), while COD exhibited a %b value of 65%. To discern the specific sites of HSA to which these compounds were bound, displacement experiments were performed using warfarin and (S)-ibuprofen as probes for sites I and II, respectively, which revealed that all analytes were bound to both sites. Molecular docking studies corroborated the experimental results, reinforcing the insights gained from the empirical data. The in silico data also suggested that competition between PMZ and its metabolites with COD can occur in both sites of HSA, but mainly in site II. As the target compounds are chiral, the enantioselectivity for HSA binding was also explored, showing that the binding for these compounds was not enantioselective.
"紫色饮料 "是一种含有异丙嗪(PMZ)和可待因(COD)的软饮料,因其致幻效果而风靡全球。大量饮用这种混合饮料可能会导致致命的后果。这些药物与血浆蛋白的结合会增加药物相互作用、副作用和/或毒性的风险,从而使问题更加严重。本文采用分区方法,通过高效亲和层析(HPAC)研究了PMZ及其主要代谢物[N-去甲基异丙嗪(DMPMZ)和异丙嗪亚砜(PMZSO)]以及COD与人血清白蛋白(HSA)的结合亲和力。PMZ及其代谢物对HSA具有显著的结合亲和力(%b值高于80%),而COD的%b值为65%。为了确定这些化合物与 HSA 结合的特定位点,分别用华法林和 (S)- 布洛芬作为位点 I 和位点 II 的探针进行了位移实验,结果表明所有分析物都与这两个位点结合。分子对接研究证实了实验结果,加强了从经验数据中获得的启示。硅学数据还表明,PMZ 及其代谢物与 COD 之间的竞争可能发生在 HSA 的两个位点,但主要发生在位点 II。由于目标化合物是手性的,因此还探讨了与 HSA 结合的对映体选择性,结果表明这些化合物的结合没有对映体选择性。
{"title":"Binding studies of promethazine and its metabolites with human serum albumin by high-performance affinity chromatography and molecular docking in the presence of codeine.","authors":"Maria Miguel Coelho, Rita Lima, Ana Sofia Almeida, Pedro Alexandrino Fernandes, Fernando Remião, Carla Fernandes, Maria Elizabeth Tiritan","doi":"10.1007/s00216-024-05409-3","DOIUrl":"https://doi.org/10.1007/s00216-024-05409-3","url":null,"abstract":"<p><p>\"Purple Drank\", a soft drink containing promethazine (PMZ) and codeine (COD), has gained global popularity for its hallucinogenic effects. Consuming large amounts of this combination can lead to potentially fatal events. The binding of these drugs to plasma proteins can exacerbate the issue by increasing the risk of drug interactions, side effects, and/or toxicity. Herein, the binding affinity to human serum albumin (HSA) of PMZ and its primary metabolites [N-desmethyl promethazine (DMPMZ) and promethazine sulphoxide (PMZSO)], along with COD, was investigated by high-performance affinity chromatography (HPAC) though zonal approach. PMZ and its metabolites exhibited a notable binding affinity for HSA (%b values higher than 80%), while COD exhibited a %b value of 65%. To discern the specific sites of HSA to which these compounds were bound, displacement experiments were performed using warfarin and (S)-ibuprofen as probes for sites I and II, respectively, which revealed that all analytes were bound to both sites. Molecular docking studies corroborated the experimental results, reinforcing the insights gained from the empirical data. The in silico data also suggested that competition between PMZ and its metabolites with COD can occur in both sites of HSA, but mainly in site II. As the target compounds are chiral, the enantioselectivity for HSA binding was also explored, showing that the binding for these compounds was not enantioselective.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141533193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-04DOI: 10.1007/s00484-024-02727-0
Yi Zhang, Yanxia Zhao, Qing Sun, Sining Chen, Shao Sun, Li Liu
Understanding the impact of climate warming on crop yield and its associated mechanisms is paramount for ensuring food security. Here, we conduct a thorough analysis of the impact of vapor pressure deficit (VPD) on maize yield, leveraging a rich dataset comprising temporal and spatial observations spanning 40 years across 31 maize-growing locations in Northeast and North China. Our investigation extends to the influencing meteorological factors that drive changes in VPD during the maize growing phase. Regression analysis reveals a linear negative relationship between VPD and maize yield, demonstrating diverse spatiotemporal characteristics. Spatially, maize yield exhibits higher sensitivity to VPD in Northeast China (NEC), despite the higher VPD levels in North China Plain (NCP). The opposite patterns reveal that high VPD not invariably lead to detrimental yield impacts. Temporal analysis sheds light on an upward trend in VPD, with values of 0.05 and 0.02 kPa/10yr, accompanied by significant abrupt changes around 1996 in NEC and 2006 in NCP, respectively. These temporal shifts contribute to the heightened sensitivity of maize yield in both regions. Importantly, we emphasize the need to pay closer attention to the substantial the impact of actual vapor pressure on abrupt VPD changes during the maize growing phase, particularly in the context of ongoing climate warming.
{"title":"Reduced actual vapor pressure exerts a significant influence on maize yield through vapor pressure deficit amid climate warming.","authors":"Yi Zhang, Yanxia Zhao, Qing Sun, Sining Chen, Shao Sun, Li Liu","doi":"10.1007/s00484-024-02727-0","DOIUrl":"https://doi.org/10.1007/s00484-024-02727-0","url":null,"abstract":"<p><p>Understanding the impact of climate warming on crop yield and its associated mechanisms is paramount for ensuring food security. Here, we conduct a thorough analysis of the impact of vapor pressure deficit (VPD) on maize yield, leveraging a rich dataset comprising temporal and spatial observations spanning 40 years across 31 maize-growing locations in Northeast and North China. Our investigation extends to the influencing meteorological factors that drive changes in VPD during the maize growing phase. Regression analysis reveals a linear negative relationship between VPD and maize yield, demonstrating diverse spatiotemporal characteristics. Spatially, maize yield exhibits higher sensitivity to VPD in Northeast China (NEC), despite the higher VPD levels in North China Plain (NCP). The opposite patterns reveal that high VPD not invariably lead to detrimental yield impacts. Temporal analysis sheds light on an upward trend in VPD, with values of 0.05 and 0.02 kPa/10yr, accompanied by significant abrupt changes around 1996 in NEC and 2006 in NCP, respectively. These temporal shifts contribute to the heightened sensitivity of maize yield in both regions. Importantly, we emphasize the need to pay closer attention to the substantial the impact of actual vapor pressure on abrupt VPD changes during the maize growing phase, particularly in the context of ongoing climate warming.</p>","PeriodicalId":588,"journal":{"name":"International Journal of Biometeorology","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141496803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}