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Assessment of Ora-Pro-Nobis (Pereskia aculeata Miller) Leaves Shelf-Life in Different Conditions by Using NIR Spectroscopy and Augmented Matrices with Chemometrics 利用近红外光谱和化学计量增广矩阵评价不同条件下奥拉-诺比斯(Pereskia aculeata Miller)叶片的保质期
IF 1.4 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-25 DOI: 10.21577/0103-5053.20230022
F. Furlan, M. Matsushita, Aline Coqueiro, P. Março, P. Valderrama
Ora-pro-nobis (Pereskia aculeata Mill) is an unconventional food plant (UFP) rich in proteins, vitamins, fibers, and antioxidants. In this study, ora-pro-nobis leaves were investigated as a proof‑of‑concept by near-infrared (NIR) spectroscopy concerning the storage time (from collection to 12 days), packaging system: styrofoam-based packaging covered with stretchable polychloride vinyl (PVC) film, and vacuum packaging (nylon/poly), temperature (at room temperature of 20 ºC, and in the refrigerator at 4 ºC), and sanitization condition (washed and without washing). Principal component analysis (PCA) was applied to augmented matrices, showing that unwashed leaves stored in the refrigerator with styrofoam-based packaging covered with PVC film were better preserved over time. Furthermore, it has been suggested that NIR absorptions are related to proteins, carbohydrates, lipids, vitamins, antioxidants, and water from ora-pro-nobis leaves and their physiological reactions over time. By combining NIR spectroscopy and chemometrics, a complete understanding of the shelf life of ora-pro-nobis leaves was achieved.
Ora-pro-nobis (Pereskia aculeata Mill)是一种富含蛋白质、维生素、纤维和抗氧化剂的非传统食用植物。本研究利用近红外(NIR)光谱技术,研究了乌龙茶叶的储存时间(从收集到12天)、包装方式:以聚氯乙烯(PVC)薄膜覆盖的聚苯乙烯泡沫塑料包装、真空包装(尼龙/聚乙烯)、温度(室温20℃、冰箱4℃)和卫生处理条件(水洗和不水洗)。主成分分析(PCA)应用于增广矩阵,表明未经清洗的叶子储存在冰箱里,用聚氯乙烯薄膜覆盖的聚苯乙烯泡沫基包装,随着时间的推移保存得更好。此外,有研究表明,近红外吸收与植物叶片中的蛋白质、碳水化合物、脂类、维生素、抗氧化剂和水分及其随时间的生理反应有关。通过将近红外光谱和化学计量学相结合,我们全面了解了奥拉-诺比斯叶的保质期。
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引用次数: 0
Controlled Release of Rutin from Babassu Coconut Mesocarp Starch Films 巴巴苏椰子中果皮淀粉膜中芦丁的控释研究
IF 1.4 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-25 DOI: 10.21577/0103-5053.20230045
Liane Carvalho, C. Bezerra, C. D. da Rocha, Letícia de Oliveira, Luna Vasconcelos, S. Santana
Rutin is found in several plant sources and has therapeutic effects with excellent healing potential. Its use is restricted due to its low aqueous solubility, requiring a carrier matrix that allows an adequate delivery system. Biopolymer matrices can release the active ingredient in a controlled manner, keeping it within the therapeutic range and minimizing side effects. This study used babassu mesocarp starch films prepared by different routes as Arrabidaea brachypoda DC Bureau (AB) leaf extract carrier matrices to produce a controlled release system. The films were produced by the casting method, and the AB extract was incorporated in the proportion of 0.5% m/m of dry starch. The presence of the extract in the matrix was identified with Fourier transform infrared spectroscopy (FTIR) and X-ray diffractometry (XRD) data and functional analyses. The in vitro release of the AB extract was carried out in phosphate-buffered saline, pH 7.4, and adapted to the Korsmeyer-Peppas model, with coefficients of determination (R2 ) ≥ 0.9018. The release exponents (n) revealed that the release mechanism is diffusion controlled. Different kinetic constant values (k) indicated that the treatments employed allowed slower and more controlled release profiles, according to the route chosen for matrix preparation. Thus, the materials produced emerge as a new approach to releasing vegetable extracts.
芦丁存在于多种植物中,具有良好的治疗潜力。由于其水溶解度低,它的使用受到限制,需要一种允许适当递送系统的载体基质。生物聚合物基质可以以可控的方式释放活性成分,使其保持在治疗范围内,并最大限度地减少副作用。本研究以不同途径制备的巴巴苏中果皮淀粉膜为载体,制备了一种缓释体系。采用浇铸法制备膜,以0.5% m/m的干淀粉加入AB提取物。通过傅里叶红外光谱(FTIR)、x射线衍射(XRD)和功能分析,确定了提取物在基质中的存在。AB提取物在pH 7.4的磷酸盐缓冲盐水中体外释放,采用korsmemeyer - peppas模型,决定系数(R2)≥0.9018。释放指数(n)表明释放机制受扩散控制。不同的动力学常数值(k)表明,根据所选择的基质制备路线,所采用的处理允许更慢和更可控的释放曲线。因此,所制备的材料为释放植物提取物提供了一种新的途径。
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引用次数: 0
Evaluation of the Metabolic Production from the Co-Culture of Saccharicola sp. and Botryosphaeria parva, an Endophytic Fungi Associated with Eugenia jambolana Lam. 糖胶菌和与叶根尼亚相关的内生真菌Botryosphaeria parva共培养代谢产物的评价。
IF 1.4 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-25 DOI: 10.21577/0103-5053.20230046
Mayra F. Costa, M. Borges, V. Chapla, C. Biasetto, Isabele R. Nascimento, V. Bolzani, Â. Araújo
A new compound, (6R,7S,2E,4E)-6,7-dihydroxy-4,6-dimethylocta-2,4-dienoic acid (1), together with eight known compounds were isolated from the co-culture of Saccharicola sp. and Botryosphaeria parva, an endophytic fungi associated with Eugenia jambolana Lam. (Myrtaceae) plant species. The structures were elucidated by spectroscopic analysis of the one-dimensional (1D) and two-dimensional (2D) nuclear magnetic resonance (NMR) and mass spectrometry (MS) data as well as by comparison with literature data. The bioactivity (antioxidant and antifungal) of the crude EtOAc was evaluated. All crude extracts presented antioxidant activity and only the crude extract from the co-culture was active on the fungus Cladosporium sphaerospermum. This investigation contributed to the knowledge about the metabolic production of two endophytic fungi Saccharicola sp. and Botryosphaeria parva in co-culture, once, until the present date, there are no studies in the literature that report the understanding of the chemical interaction of both grown in the same environment.
从甘蔗属内生真菌Saccharicola sp.和Botryosphaeria parva共培养中分离到一个新的化合物(6R,7S,2E,4E)-6,7-二羟基-4,6-二甲基-2,4-二烯酸(1)和8个已知化合物。(桃金娘科)植物种。通过对一维(1D)和二维(2D)核磁共振(NMR)和质谱(MS)数据的光谱分析以及与文献数据的比较,对其结构进行了鉴定。对其生物活性(抗氧化和抗真菌)进行了评价。所有粗提物均具有抗氧化活性,只有共培养粗提物对球形枝孢菌具有抗氧化活性。这项研究有助于了解两种内生真菌Saccharicola sp.和Botryosphaeria parva在共培养中的代谢产物,但直到目前为止,文献中还没有研究报道在同一环境中生长的两种真菌的化学相互作用。
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引用次数: 0
New Catalysts Derived from Natural Products as Highly Stereoselective Chiral Inductors for Diethylzinc Addition to Aromatic Aldehydes 天然产物衍生的高立体选择性手性诱导二乙基锌加成芳醛催化剂
IF 1.4 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-25 DOI: 10.21577/0103-5053.20230047
C. Wosch, Ricardo Labes, K. Salome, Vitor Melo, Renan R. Schorr, Palimécio Guerrero Jr., N. Lima, Gustavo Frensch, B. Maia, F. Marques
Asymmetric addition of organozinc compounds to carbonyl groups is one of the most useful methods for the synthesis of alcohols with high enantioselectivity. There is a wide range of chiral catalysts, although their synthesis requires more than one step and not often readily available starting materials. In this work, chiral β-hydroxy oxazolines derived from (+)-camphor and (−)-fenchone were easily synthesized through a one-step method, with good yields. Both ligands were evaluated as catalysts for the stereoselective addition of diethylzinc to aromatic aldehydes. All ligands showed good catalytic activity, leading both to the preparation of the R enantiomer of chiral secondary alcohols. As ligand 2 provided slightly better enantioselectivities, it was used as chiral inductor for the addition of diethylzinc for a larger number of aldehydes, resulting in good to excellent yields (88-98%) and enantiomeric excess up to 96%.
有机锌化合物在羰基上的不对称加成是合成高对映选择性醇的最有用的方法之一。手性催化剂种类繁多,但它们的合成需要不止一步,而且起始材料往往不容易获得。本研究以(+)-樟脑和(−)-茴香为原料,一步法合成手性β-羟基恶唑啉,收率高。研究了两种配体对二乙基锌与芳香醛立体选择性加成反应的催化作用。所有配体均表现出良好的催化活性,均可制备手性仲醇的R对映体。由于配体2具有稍好的对映选择性,因此可以作为手性诱导剂用于二乙基锌的大量醛的加成,获得了良好至优异的收率(88-98%),对映体过剩率高达96%。
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引用次数: 0
Statistical Analysis of the Chemical Composition of Concrete Slurry Waste: A Case Study of Sedimentation Tanks from Concrete Batching Plants in Manaus-Brazil 混凝土浆料废料化学成分的统计分析:以巴西马瑙斯混凝土配料厂沉淀池为例
IF 1.4 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-25 DOI: 10.21577/0103-5053.20230034
Jéssica Raíssa Guimarães, Yves Nathan de Faria, Mateus de Oliveira, L. Manzato, Cláudia Silva
Concrete slurry waste is a material removed from sedimentation tanks that receive water used to wash concrete mixer trucks and patios of concrete batching plants (CBP). The objectives of this study were to determine the chemical composition of this residue from three different producers, in three consecutive months and at different collection points using wavelength dispersive X-ray fluorescence, investigate the inconstancy of content through analysis of variance, compare the qualitative and quantitative results with the literature and discuss the possibility of inserting the material in the proposal of different authors. Twenty-two oxides and elements were identified; among them, five showed their incidence in a punctual way. The analysis of variance showed that there are significant differences in the concentration of components between batching plants, months and collection points. The comparison with the literature showed that CaO, Al2O3 and SiO2 are the majority, both in the samples under study and in the samples from different authors. However, the average amounts of CaO are higher in the waste sludge from the concrete batching plants in question and, consequently, if this material were reused in the same proposals as the authors, the products would possibly present different characteristics and performance.
混凝土浆料废料是从沉淀池中取出的材料,沉淀池接收用于清洗混凝土搅拌车和混凝土配料厂(CBP)天井的水。本研究的目的是利用波长色散x射线荧光测定三个不同生产者连续三个月在不同采集点的该残留物的化学成分,通过方差分析考察其含量的不稳定性,将定性和定量结果与文献进行比较,并讨论将该材料插入不同作者提案的可能性。鉴定出22种氧化物和元素;其中,有5例准时发生。方差分析表明,各配料厂、月份和采集点间各成分浓度差异显著。与文献对比发现,在所研究的样品和不同作者的样品中,CaO、Al2O3和SiO2均占多数。然而,所讨论的混凝土配料厂的废污泥中CaO的平均含量较高,因此,如果这种材料在与作者相同的建议中重复使用,产品可能会呈现不同的特性和性能。
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引用次数: 0
Physicochemical Properties of Superabsorbent Hydrogels Formed by Polyelectrolytic Complexation of Carboxymethylcellulose-Chitosan at Basic pH 羧甲基纤维素-壳聚糖在碱性pH下聚电解络合形成高吸水性凝胶的物理化学性质
IF 1.4 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-25 DOI: 10.21577/0103-5053.20230035
Gustavo Monteiro da Silva, I. Ferreira, M. Costa, Rafael Rocha
High water consumption during irrigation is one of the main problems in agriculture. The preparation of a material that prolongs the water retention capacity of the soil is important. This article aimed to prepare superabsorbent hydrogels by the complexation of chitosan (CHI), with high degree of deacetylation (DD), and carboxymethylcellulose (CMC), with high degree of substitution (SD). Different parameters (concentration and polymeric solutions addition order, polysaccharides’ ratio, pH) were studied. Morphology, thermal stability, chemical composition, mechanical strength, and swelling kinetics of hydrogels in water were evaluated. A hydrogel formation mechanism was discussed and proposed. Results showed that most samples prepared at acid pH disintegrated during swelling test. The morphology of the hydrogels varied with the pH. It was obtained superabsorbent hydrogels (swelling > 400%) based on CMC (SD = 2.23) and CHI (DD = 92%), at basic pH, with good compression strength, and applicable as soil conditioner. The best sample was the one prepared with CMC:CHI = 1:2, polymeric solutions 1.5% m/v and pH 8.
灌溉耗水量高是农业生产中的主要问题之一。制备一种能延长土壤保水能力的材料是很重要的。采用高脱乙酰度的壳聚糖(CHI)与高取代度的羧甲基纤维素(CMC)络合制备高吸水性水凝胶。研究了不同的参数(浓度和聚合物溶液加成顺序、多糖比、pH)。对水凝胶在水中的形态、热稳定性、化学成分、机械强度和膨胀动力学进行了评价。讨论并提出了水凝胶的形成机理。结果表明,在酸性pH条件下制备的样品在溶胀试验中大部分发生崩解。在碱性pH条件下,以CMC (SD = 2.23)和CHI (DD = 92%)为基础的高吸水性水凝胶(膨胀> 400%)具有良好的抗压强度,适用于土壤调理剂。最佳样品为CMC:CHI = 1:2,聚合物溶液1.5% m/v, pH = 8。
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引用次数: 0
Molecular Modeling Studies of β-Sitosterol Extract from Miconia burchellii Triana (Melastomataceae) from Brazilian Cerrado 巴西塞拉多省布氏鼠茅中β-谷甾醇提取物的分子模拟研究
IF 1.4 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-25 DOI: 10.21577/0103-5053.20230040
Marianna C. Silva, Vitor Duarte, L. Sallum, G. Cunha, Jean M. F. Custódio, Allen Oliver, J. Peixoto, A. Menezes, H. Napolitano
The Brazilian Cerrado biome is considered one of the 25 hotspots worldwide that contain bioactive compounds due to its great biodiversity; however, the reduction of its native area over time due to the expansion of urbanization and agribusiness may have compromised knowledge of its biological variety. In this context, knowledge about Cerrado species can contribute to its biodiversity preservation. This study aims to describe the isolation, molecular architecture and theoretical calculations of the compound (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl -6-methylheptan-2-yl]-10,13 dimethyl 2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro1H-cyclopenta[a]phenanthren-3-ol, extracted from the Brazilian Cerrado Miconia burchellii plant. The supramolecular arrangement was described by Hirshfeld surface analysis, demonstrating the intermolecular interactions in the crystalline packing. The structure-property relationship shows the electrostatic potential map analysis, which reveals that the oxygen region is susceptible to electrophilic attack, and the frontier molecular orbital confirmed the kinetic stability of this compound. This study represents another step forward in the knowledge of compounds with pharmacological and medicinal properties extracted from the Cerrado.
巴西塞拉多生物群落因其丰富的生物多样性被认为是世界上含有生物活性化合物的25个热点之一;然而,随着时间的推移,由于城市化和农业综合经营的扩大,其原生面积减少,可能损害了对其生物多样性的认识。在这种情况下,对塞拉多物种的了解有助于其生物多样性的保护。摘要本文研究了从巴西波切利塞拉多Miconia burchellii植物中提取的化合物(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-乙基-6-甲基庚烷-2-基]-10,13二甲基2,3,4,7,8,9,11,12,14,15,16,17-十二氢1h -环五[a]菲菲-3-醇的分离、分子结构和理论计算。Hirshfeld表面分析描述了超分子排列,证明了晶体填料中的分子间相互作用。结构-性能关系显示静电势图分析,表明氧区容易受到亲电攻击,前沿分子轨道证实了该化合物的动力学稳定性。这项研究代表了从塞拉多提取的具有药理和药用特性的化合物的知识的又一步。
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引用次数: 1
Ethanol Conversion Catalyzed by MCM-22 and Its Dealuminated and Delaminated Forms MCM-22及其脱铝和脱层形式催化乙醇转化
IF 1.4 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-07-24 DOI: 10.21577/0103-5053.20230028
Zilacleide Sousa, C. Henriques, V. D. da Silva
The conversion of ethanol into hydrocarbons, particularly into light olefins, was studied over MCM-22 zeolite in their acid form (HMCM-22) and its derived forms obtained by dealumination with oxalic acid (HMCM-22(OA)) and delamination (HITQ-2). The treatment with oxalic acid did not affect zeolite textural properties but reduced the total density and strength of the acid sites. As to the delamination process, HITQ-2 zeolite presented the highest Brunauer, Emmett and Teller (BET) specific area, mesopore volume, and external area, but the microporosity was not affected. This sample showed a lower SiO2/Al2O3 ratio than the precursor HMCM-22, resulting in the highest acid site density but with the predominance of acid sites with weak and intermediate strength. Both dealumination and delamination led to an increase in the number of structural defects in the samples. The comparison of the catalytic performance at 500 ºC showed that despite the differences in the acidic and textural properties of the samples, they were active for ethanol conversion and highly selective for ethylene production. Ethanol conversion, followed by in situ diffuse reflectance spectroscopy (DRIFTS), was also investigated. It showed that, for both samples, the “coke band” intensity was already significant after 1 min of reaction, similar to what was detected for HMCM-22.
在MCM-22沸石上研究了乙醇转化为碳氢化合物,特别是转化为轻烯烃的酸态(HMCM-22)和草酸脱铝(HMCM-22(OA))和分层(HITQ-2)得到的衍生态。草酸处理不影响沸石的结构性质,但降低了酸位的总密度和强度。在脱层过程中,HITQ-2沸石的比表面积、介孔体积和外孔面积最大,但微孔隙度不受影响。与前驱体HMCM-22相比,该样品的SiO2/Al2O3比较低,酸位密度最高,但以弱和中等强度酸位为主。脱铝处理和分层处理均导致样品中结构缺陷数量的增加。500℃下的催化性能比较表明,尽管样品的酸性和结构性质存在差异,但它们对乙醇转化具有活性,对乙烯生产具有高选择性。乙醇转化,其次是原位漫反射光谱(DRIFTS),也进行了研究。结果表明,两种样品在反应1 min后,“焦带”强度都已显著,与HMCM-22检测结果相似。
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引用次数: 0
Fast and Environmentally Friendly Method for Simultaneous Determination of Hydrochlorothiazide, Losartan and Potassium by Capillary Electrophoresis with Capacitively Coupled Contactless Conductivity Detection 毛细管电泳-电容耦合非接触电导检测法同时测定氢氯噻嗪、氯沙坦和钾
IF 1.4 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-07-24 DOI: 10.21577/0103-5053.20230033
Mariana Marra, M. Ribeiro, R. Muñoz, E. Richter
Losartan potassium and hydrochlorothiazide are often combined in pharmaceutical formulations for the treatment of hypertension. Therefore, the determination of these compounds in a single run is highly desirable for rapid quality control applications. The present study describes an ultra-fast (ca. 85 injections h−1) and environmentally friendly method based on capillary electrophoresis (CE) with capacitively coupled contactless conductivity detection for simultaneous quantification of potassium, losartan and hydrochlorothiazide. Cation (potassium) and anions (losartan and hydrochlorothiazide) were analyzed in a single run using a background electrolyte composed by 10.0 mmol L-1 boric acid (pH = 9.0, adjusted with sodium hydroxide). The limits of detection were 4.0, 3.0 and 10.0 μmol L-1 for potassium, losartan and hydrochlorothiazide, respectively. The proposed method is simple, fast, with minimal waste generation, and accurate (recovery values between 98 and 102%). The results obtained with the CE method were statistically similar (95% confidence level) to those obtained by high-performance liquid chromatography (losartan and hydrochlorothiazide) and flame photometry (potassium).
氯沙坦钾和氢氯噻嗪常在药物制剂中联合用于治疗高血压。因此,在一次运行中测定这些化合物对于快速质量控制应用是非常理想的。本研究描述了一种基于毛细管电泳(CE)的超快速(约85次注射h−1)和环保的方法,该方法具有电容耦合非接触电导率检测,可同时定量钾,氯沙坦和氢氯噻嗪。采用10.0 mmol L-1硼酸(pH = 9.0,用氢氧化钠调节)为背景电解质,一次性分析阳离子(钾)和阴离子(氯沙坦和氢氯噻嗪)。钾、氯沙坦和氢氯噻嗪的检出限分别为4.0、3.0和10.0 μmol L-1。该方法简单、快速、废物产生少、回收率在98 ~ 102%之间。CE法所得结果与高效液相色谱法(氯沙坦和氢氯噻嗪)和火焰光度法(钾)所得结果在统计学上相似(95%置信水平)。
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引用次数: 0
Evaluation of Reinforcement Corrosion in Cementitious Composites Modified with Water Treatment Sludge 水处理污泥改性胶凝复合材料中钢筋腐蚀的评价
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-07-24 DOI: 10.21577/0103-5053.20230023
Mariana Rezende, Pedro Gromboni, Patricia Corradini, Almir Sales, Lucia Mascaro
The water treatment sludge (WTS) is a residue composed of organic and inorganic matter in a solid, liquid, and gaseous state that has a variable composition concerning its physical, chemical, and biological characteristics. The irregular disposal of WTS can promote harmful changes to the environment, such as reduction of dissolved oxygen and increase in the concentration of aluminum and other metals in the receiving watercourses. To propose a suitable purpose for this residue, this work evaluated the physical and mechanical properties of the concrete and corrosion resistance of the reinforcement in a cementitious composite using WTS in replacement to the natural sand. A conventional concrete and a conventional mortar were used as a reference and a 3% WTS-content concrete, and a 3% WTS-content mortar were prepared to evaluate the WTS influence in mechanical properties and corrosion resistance. By electrochemical measurements, it was observed that the resistance of the cementitious matrix was not altered by WTS addition. Regarding steel resistance, the WTS may promote a higher susceptibility to frame corrosion, which can be correlated to the lower pH than reference medium (REF). The concrete reinforcement characterization indicates that concretes with WTS can be used as reinforced concrete structure in urban areas.
水处理污泥(WTS)是由固体、液体和气体状态的有机和无机物组成的残渣,其物理、化学和生物特性的组成是可变的。无规律地处置水废物会促进对环境的有害变化,如溶解氧的减少和接收水道中铝和其他金属浓度的增加。为了提出这种残留物的合适用途,本工作评估了混凝土的物理和机械性能以及使用WTS代替天然砂的胶凝复合材料中钢筋的耐腐蚀性。以常规混凝土和常规砂浆为参照,配制了WTS含量为3%的混凝土和WTS含量为3%的砂浆,评价了WTS对其力学性能和耐腐蚀性的影响。通过电化学测量,发现WTS的加入对胶凝基质的电阻没有影响。在钢的耐蚀性方面,WTS可能会提高钢对框架腐蚀的敏感性,这可能与pH值低于参考介质(REF)有关。混凝土的配筋特性表明,含WTS的混凝土可作为城市地区的钢筋混凝土结构。
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引用次数: 1
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Journal of the Brazilian Chemical Society
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