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Development of natural fiber-epoxy and vinyl ester biocomposites for sustainable fabrication of hydrokinetic turbines 用于水力涡轮机可持续制造的天然纤维环氧树脂和乙烯基酯生物复合材料的开发

Next Materials

Pub Date : 2026-01-29 DOI: 10.1016/j.nxmate.2026.101651

Juan C. Lopez-Mercado , Daniela Mahecha-Rivas , Juan P. Correa-Aguirre , Juan P. Casas-Rodriguez , Miguel A. Hidalgo-Salazar

Energy access fundamentally drives community development. Powering essential services and infrastructure, reliable electricity facilitates social, economic, health, and educational progress. This study investigates the fabrication and characterization of epoxy (EP) and vinyl ester (VE)-natural fibers biocomposites for use in sustainable energy systems. The novelty of this research is based on an integrated approach that combines the characterization of biocomposites from fique and coir fibers with their application in the production of a functional vertical axis hydrokinetic turbine (VAHT) prototype. Characterization included tensile tests complemented by Digital Image Correlation (DIC) and Izod impact testing. The thermal properties were studied using Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA), and Scanning Electron Microscopy (SEM) was utilized to examine the adhesion and dispersion of fibers within the matrix. Viscoelastic properties were assessed using Dynamic Mechanical Analysis (DMA). Non-woven composites displayed a substantial stiffening effect, with improvements in tensile modulus reaching up to 33 % over neat resin. Non-woven fique fiber biocomposites showed the highest impact energy absorption (4.5 J), whereas EP-woven fique fiber specimens demonstrated superior tensile strength (35 MPa). Thermal degradation onset for VE-NWFF was observed at 397 ° Celsius. The results of the ANOVA test showed that fiber and fabric type have statistically significant impacts on mechanical performance (p ≤ 0.05). Research findings indicate that developed biocomposites can meet the necessary performance standards for hydrokinetic turbines production, providing a sustainable and cost-efficient alternative for distributed power networks in isolated areas.

能源获取从根本上推动社区发展。可靠的电力为基本服务和基础设施提供动力，促进社会、经济、卫生和教育进步。本研究探讨了用于可持续能源系统的环氧树脂（EP）和乙烯基酯(VE)-天然纤维生物复合材料的制备和表征。这项研究的新颖性是基于一种综合方法，该方法将纤维和椰子纤维的生物复合材料的特性与它们在功能性垂直轴水动力涡轮机（VAHT）原型生产中的应用相结合。表征包括拉伸试验，辅以数字图像相关（DIC）和Izod冲击试验。利用差示扫描量热法（DSC）和热重分析法（TGA）研究了其热性能，并利用扫描电镜（SEM）研究了纤维在基体中的粘附和分散。粘弹性性能采用动态力学分析（DMA）进行评估。无纺布复合材料表现出明显的加筋效果，与纯树脂相比，拉伸模量提高了33 %。无纺布纤维生物复合材料具有最高的冲击能量吸收（4.5 J），而ep编织纤维生物复合材料具有更高的抗拉强度（35 MPa）。VE-NWFF的热降解开始于397℃。方差分析结果表明，纤维和织物类型对机械性能的影响有统计学意义（p ≤ 0.05）。研究结果表明，开发的生物复合材料可以满足水动力涡轮机生产所需的性能标准，为偏远地区的分布式电网提供可持续和经济的替代方案。

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引用次数: 0

Comparative corrosion inhibition of expired favipiravir and hydroxychloroquine sulfate: An In Silico and In Vitro study 过期法匹拉韦与硫酸羟氯喹缓蚀性能的对比研究

Next Materials

Pub Date : 2026-01-28 DOI: 10.1016/j.nxmate.2026.101649

Mithlesh Jani, Preeti Jain

The present study investigates the corrosion inhibition performance of expired Favipiravir and Hydroxychloroquine sulfate for low-carbon steel in 2 M H₂SO₄ medium. Gravimetric testing, thermometric measurements, and potentiodynamic polarization were employed to quantify the inhibition response, while Density Functional Theory (DFT) modeling supported mechanistic interpretation. Both expired drugs effectively suppressed metal dissolution, achieving maximum inhibition efficiencies of 92.61 % for Favipiravir and 96.55 % for Hydroxychloroquine sulfate at 500 ppm and 303 K. Langmuir adsorption isotherm analysis indicated monolayer adsorption governed by a synergistic physisorption–chemisorption mechanism. Microscopic examinations confirmed reduced surface roughness and corrosion product formation in inhibited systems. DFT results revealed favorable frontier orbital energies, high dipole moments, and strong electron-donor capability, correlating well with experimental observations. This study uniquely demonstrates the comparative inhibition efficiency and adsorption behavior of two structurally distinct expired antiviral drugs, revealing a structure–activity relationship that links electronic properties with corrosion resistance. The findings highlight a novel valorization pathway for expired pharmaceuticals as sustainable, cost-effective, and eco-friendly corrosion inhibitors for industrial applications.

研究了过期Favipiravir和硫酸羟氯喹在2 M H₂SO₄介质中对低碳钢的缓蚀性能。通过重力测试、温度测量和动电位极化来量化抑制反应，而密度泛函理论（DFT）模型支持机理解释。两种过期药物均能有效抑制金属溶出，在500 ppm和303 K条件下，Favipiravir和硫酸羟氯喹的最大抑制效率分别为92.61 %和96.55 %。Langmuir吸附等温线分析表明，单层吸附是一种物理-化学协同吸附机制。显微镜检查证实，在抑制体系中，表面粗糙度和腐蚀产物的形成有所降低。DFT结果显示了有利的前沿轨道能、高偶极矩和强电子给体能力，与实验观测结果吻合良好。本研究独特地展示了两种结构不同的过期抗病毒药物的比较抑制效率和吸附行为，揭示了电子性质与耐腐蚀性之间的构效关系。这一发现强调了一种新的增值途径，将过期药物作为可持续、经济、环保的工业应用腐蚀抑制剂。

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引用次数: 0

Circular valorization of defunct coral reefs into bioactive hydroxyapatite: Atomic-scale mechanisms and functional performance 死亡珊瑚礁循环活化成生物活性羟基磷灰石：原子尺度机制和功能性能

Next Materials

Pub Date : 2026-01-28 DOI: 10.1016/j.nxmate.2026.101650

Khaeriah Dahlan , Endang Haryati , Lili Maniambo , Eva Papilaya , Hendry Y. Nanlohy

Hydroxyapatite (HAp) is a bioceramic material highly valued for its excellent biocompatibility, bioactivity, and close resemblance to the mineral phase of natural bone. In this study, defunct coral reefs were repurposed as a natural calcium precursor for the sustainable synthesis of hydroxyapatite. The coral samples were calcined at 800 °C, 900 °C, and 1000 °C to produce calcium oxide (CaO), among which calcination at 900 °C yielded the highest CaO content (84.09 %). The obtained CaO was subsequently utilized for hydroxyapatite synthesis under sintering temperatures of 800 °C, 900 °C, and 1000 °C. X-ray diffraction (XRD) analysis confirmed the successful formation of phase-pure hydroxyapatite, exhibiting distinct diffraction peaks consistent with the standard HAp pattern. Fourier Transform Infrared Spectroscopy (FTIR) identified the characteristic vibrational bands of phosphate (PO₄³⁻), hydroxyl (OH⁻), and carbonate (CO₃²⁻) groups, while Scanning Electron Microscopy (SEM) revealed the typical porous morphology of hydroxyapatite. The sample sintered at 900 °C showed superior crystallinity, structural homogeneity, and well-distributed porosity. The synthesized HAp showed a Ca/P molar ratio of 2.18–2.34, crystallite size of 23–45 nm, and porosity of 29–33 %, confirming phase purity and a biomimetic microstructure. These quantitative features emphasize the temperature-dependent structural changes and support 900 °C as the best processing condition. These findings demonstrate that defunct coral reefs can be effectively converted into high-purity hydroxyapatite, underscoring their potential as a sustainable and eco-friendly raw material for bio-ceramic and biomedical applications such as bone grafts, coatings, and tissue engineering scaffolds.

羟基磷灰石（HAp）是一种生物陶瓷材料，因其优异的生物相容性、生物活性和与天然骨矿物相的相似性而受到高度重视。在这项研究中，死亡的珊瑚礁被重新利用为可持续合成羟基磷灰石的天然钙前体。珊瑚样品分别在800℃、900℃和1000℃煅烧得到氧化钙（CaO），其中900℃煅烧得到的CaO含量最高（84.09 %）。所得的CaO随后在800℃、900℃和1000℃的烧结温度下用于羟基磷灰石合成。x射线衍射（XRD）分析证实了相纯羟基磷灰石的成功形成，显示出与标准HAp模式一致的明显的衍射峰。傅里叶变换红外光谱（FTIR）确定了磷酸盐（PO₄³⁻），羟基（OH⁻）和碳酸盐（CO₃²⁻）基团的特征振动带，而扫描电子显微镜（SEM）显示了羟基磷灰石的典型多孔形态。900℃烧结后的样品结晶度好，结构均匀，孔隙度分布均匀。合成的HAp的Ca/P摩尔比为2.18-2.34，晶粒尺寸为23-45 nm，孔隙率为29-33 %，证实了相纯度和仿生微观结构。这些定量特征强调了温度相关的结构变化，并支持900°C作为最佳加工条件。这些发现表明，死亡的珊瑚礁可以有效地转化为高纯度的羟基磷灰石，强调了它们作为生物陶瓷和生物医学应用（如骨移植、涂层和组织工程支架）的可持续和环保原材料的潜力。

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引用次数: 0

Calcination-tuned copper oxide nanoparticles for tomato seedling growth and vigour through nano-priming 煅烧调谐氧化铜纳米颗粒对番茄幼苗生长和活力的影响

Next Materials

Pub Date : 2026-01-28 DOI: 10.1016/j.nxmate.2026.101638

Sushma Shree Krishnappa, Shankramma Kalikeri

In the quest for sustainable agriculture innovations, nanotechnology is a critical tool for enhancing crop yields in fluctuating climates. This study investigated the potential use of copper oxide nanoparticles (CuO NPs) synthesized by Co-Precipitation and heat-treated for varying durations at different temperatures (200°C to 800°C, 2–6 h) as nano-priming agents for tomato (Solanum lycopersicum cv. Aahan F1) seeds. Structural and surface Characterizations, such as UV -Vis, XRD, FTIR, FESEM, DLS, and zeta potential, revealed that calcination temperature and time had a significant impact on particle size, crystallinity, and surface charge of CuO NPs. The best result was obtained by calcining at 600°C for 4 h, which produced particles with improved crystallinity, an average size of approximately 80 nm, and a zeta potential of −16.84 mV. These conditions favoured interactions between the seeds and the NPs. The tests indicated dose-response when seeds were treated with different NP concentrations, 5–100 mg/L. Low to moderate concentrations of 50–70 mg/L significantly improved germination rates, reaching up to 95 %, along with seedling vigour, biomass, and root-shoot growth. However, concentrations over 100 mg/L caused oxidative stress, which hindered growth and led to harmful effects on the plants. The influence of calcination time at a steady temperature (600°C) also showed that longer heating (6 hrs) resulted in clumping and less stability, while (4 hrs) offered the best colloidal properties and uniform shape. These results highlight the important role of heating conditions in optimising nanoparticle efficiency. This research suggests that calcination-engineered CuO NPs are an eco-friendly, scalable, and effective strategy for seed nano-priming that can promote early plant growth, serving as a promising alternative to traditional agrochemicals.

在寻求可持续农业创新的过程中，纳米技术是在波动的气候条件下提高作物产量的关键工具。本研究探讨了共沉淀法合成的氧化铜纳米颗粒（CuO NPs）在不同温度（200℃~ 800℃，2-6 h）下的不同热处理时间作为番茄（Solanum lycopersicum cv.）纳米引发剂的潜在用途。啊哈，F1)种子。结构和表面表征（如UV -Vis、XRD、FTIR、FESEM、DLS和zeta电位）表明，煅烧温度和时间对CuO NPs的粒度、结晶度和表面电荷有显著影响。在600℃下煅烧4 h，得到了结晶度提高的颗粒，平均尺寸约为80 nm， zeta电位为−16.84 mV。这些条件有利于种子和NPs之间的相互作用。不同NP浓度（5 ~ 100 mg/L）对种子处理有剂量效应。低至中等浓度的50-70 mg/L显著提高了发芽率，最高可达95 %，同时还提高了幼苗活力、生物量和根冠生长。当浓度超过100 mg/L时，会引起氧化应激，抑制植物生长，对植物产生有害影响。在稳定温度下（600℃）煅烧时间的影响也表明，较长的加热时间（6小时）会导致结块和稳定性降低，而4小时的加热时间可以提供最佳的胶体性能和均匀的形状。这些结果突出了加热条件在优化纳米颗粒效率中的重要作用。该研究表明，煅烧工程的氧化铜NPs是一种生态友好、可扩展且有效的种子纳米启动策略，可以促进植物早期生长，是传统农用化学品的有前途的替代品。

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引用次数: 0

A study of developing the structural, thermal, and electrochemical properties of plasticized chitosan/ZnO-based nanocomposite polymer electrolyte membranes 增塑壳聚糖/ zno基纳米复合聚合物电解质膜的结构、热及电化学性能研究

Next Materials

Pub Date : 2026-01-28 DOI: 10.1016/j.nxmate.2026.101637

Qamber Ali , Taweesak Boonsod , Kanoktip Boonkerd , Rojana Pornprasertsuk , Wanwisa Limphirat , Wirach Taweepreda

This work presents the development of sustainable, cost-effective, and high-performance plasticized chitosan/ZnO-based nanocomposite polymer electrolyte membranes (NC-PEMs), using a solution casting technique. Results demonstrate that new hydrogen bonds between the chitosan (CS) matrix, zinc oxide nanoparticles (ZnO-NPs), and ethylene carbonate (EC) are confirmed via Fourier transform infrared (FTIR) spectroscopy. Scanning electron microscopy/energy dispersive X-ray spectrometry (SEM-EDS) reveals uniform dispersion of additives in the CS matrix. X-ray diffraction (XRD) spectra verify the impact of ZnO-NPs and EC on the crystallinity of the CS matrix. The water uptake capacity (WUC) increased from 125 % (for pristine CS) to 378 % with the addition of nanoparticles and plasticizer. Similarly, the ion exchange capacity (IEC) improved from 0.77 to 4.3 meq.g⁻¹, oxidation stability increased from 28 to 92 h, and proton conductivity enhanced from 3.04 × 10⁻³ to 98.53 × 10⁻³ S.cm⁻¹. These findings suggest that such NC-PEMs show strong potential for use in polymer electrolyte membrane fuel cells (PEMFCs). As such, the membrane containing CS (2 wt%), and ZnO and EC at 1 wt% (CS/ZnO1/EC1) is seen to achieve the highest IEC and proton conductivity of 4.3 meq.g⁻¹ and 82–98.53 × 10⁻³ S.cm⁻¹, respectively. This approach paves the way for high-conductivity polymer electrolytes for the practical application of PEMFCs.

本文介绍了利用溶液铸造技术开发可持续、经济、高性能的增塑化壳聚糖/ zno基纳米复合聚合物电解质膜（NC-PEMs）。结果表明：壳聚糖（CS）基体、氧化锌纳米粒子（ZnO-NPs）和碳酸乙烯（EC）之间形成了新的氢键。扫描电子显微镜/能量色散x射线能谱（SEM-EDS）显示添加剂在CS基体中的均匀分散。x射线衍射（XRD）光谱验证了ZnO-NPs和EC对CS基体结晶度的影响。纳米颗粒和增塑剂的加入使吸水率（WUC）从125 %（原始CS）提高到378 %。同样，离子交换容量（IEC）从0.77提高到4.3 meq。g−1，氧化稳定性从28提高到92 h，质子电导率从3.04 × 10−3提高到98.53 × 10−3 S.cm−1。这些发现表明，这种nc - pem在聚合物电解质膜燃料电池（pemfc）中具有很强的应用潜力。因此，含有CS（2 wt%）和ZnO和EC(1 wt%) （CS/ZnO1/EC1）的膜可以达到最高的IEC和4.3 meq的质子电导率。g−1和82-98.53 × 10−3 S.cm−1。这种方法为高导电性聚合物电解质的实际应用铺平了道路。

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引用次数: 0

Construction of CeO2@CuO@Cu2O step scheme heterostructure photocatalyst for cationic dye degradation and microbial inactivation CeO2@CuO@Cu2O阶跃方案异质结构光催化剂的构建及其对阳离子染料降解和微生物失活的影响

Next Materials

Pub Date : 2026-01-28 DOI: 10.1016/j.nxmate.2026.101662

Anju Gupta , Mukesh Kumar Verma , Satish Kumar Pandey , Munish Sharma , Hardeep Singh , Meenakshi Dudi , Raj Kumar

Water pollution caused by toxic organic compounds and bacterial contamination has become a serious global challenge. In this study, a visible-light-activated dual-character heterostructure photocatalyst (CeO₂@CuO@Cu₂O) was synthesized using a hydrothermal method. The crystallinity, morphology, elemental composition, porosity, and energy band gap of the material were analyzed using XRD, TEM, EDX, BET, and UV–visible DRS techniques, respectively. The photocatalytic activities of CeO₂@CuO@Cu₂O and its individual components were evaluated for the degradation of methylene blue (MB) dye. Pure CeO₂ NPs alone was unable to degrade MB photocatalytically; however, in combination with Cu₂O, 97.5 % degradation was achieved within 120 min. Antimicrobial stabilizers, quercetin and ascorbic acid, were used for the preparation of CeO₂ and Cu₂O, respectively. The antimicrobial potential of the CeO₂@CuO@Cu₂O photocatalyst was examined against E. coli, S. Typhimurium, E. faecalis, and B. subtilis, with respective MIC values of 0.75–1.0, 0.75–1.0, 1.0–1.25, and 0.8–1.0 mg/mL. Furthermore, cell viability studies on HEK 293 kidney cell lines revealed that CeO₂@CuO@Cu₂O maintained cell viability of up to 91.56 %. The reduced toxicity of CeO₂@CuO@Cu₂O was further supported by the normal growth of green gram plants under its influence.

由有毒有机物和细菌污染引起的水污染已成为一个严重的全球性挑战。本研究采用水热法合成了一种可见光活化双性质异质结构光催化剂（CeO2@CuO@Cu2O）。采用XRD、TEM、EDX、BET和uv -可见DRS技术分别对材料的结晶度、形貌、元素组成、孔隙度和能带隙进行了分析。考察了CeO2@CuO@Cu2O及其各组分对亚甲基蓝（MB）染料的光催化活性。单纯的CeO2 NPs不能光催化降解MB；然而，与Cu2O结合，在120 min内达到97.5 %的降解。抗菌稳定剂槲皮素和抗坏血酸分别用于制备CeO2和Cu2O。CeO2@CuO@Cu2O光催化剂对大肠杆菌、鼠伤寒沙门氏菌、粪肠杆菌和枯草芽孢杆菌的MIC值分别为0.75 ~ 1.0、0.75 ~ 1.0、1.0 ~ 1.25和0.8 ~ 1.0 mg/mL。此外，HEK 293肾细胞系的细胞活力研究表明，CeO2@CuO@Cu2O使细胞活力保持在91.56% %。CeO2@CuO@Cu2O的毒性降低进一步得到了在其影响下绿克植株正常生长的支持。

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引用次数: 0

In vitro studies on the impact of Apple Cider Vinegar on the growth of struvite urinary crystals 苹果醋对鸟粪石尿晶体生长影响的体外研究

Next Materials

Pub Date : 2026-01-28 DOI: 10.1016/j.nxmate.2026.101634

K. Siva Kiruthiga , A. Syed Mohamed , M.A. Sabitha

Struvite, often linked with some infections, is capable of forming “staghorn calculi” in a short span of time. Thus, the need for cure and prevention of recurrence is crucial. A curative strategy that partially replicates intricate biological systems can be formulated through an in vitro method, namely, the single diffusion gel growth technique. The present work investigates the effects of Apple Cider Vinegar (ACV) on struvite urinary crystals. The grown struvite crystals were characterized structurally via Fourier Transform Infra-Red Spectroscopy (FTIR) and Powder X-Ray Diffraction (PXRD). The surface morphology was analysed via Scanning Electron Microscopy (SEM). Several schemes, such as estimating the number and weight, have been adopted to examine the effect of ACV on struvite crystals. The outcomes from the statistical analysis revealed a remarkable in vitro inhibition efficiency of ACV, by diminishing the number and weight of the struvite crystals. The sizes of various crystal habits of the struvite crystals were also inspected, which revealed a significant reduction in the size of the elongated dendritic crystals and X-shaped dendritic crystals. Additionally, the inhibition of ACV was high with increasing concentration, leading to complete dissolution of the struvite crystals, collectively suggesting ACV as an eminent in vitro inhibitor of struvite crystals. This gel growth technique contributes strategically in sorting out the potential inhibitory substances prior to the complex biological examination, thereby contributes in preventing the recurrence or dissolution of struvite crystals likely when the urinary tract is capable of achieving the studied concentrations of ACV.

鸟粪石，通常与一些感染有关，能够在短时间内形成“鹿角结石”。因此，治疗和预防复发是至关重要的。通过体外方法，即单扩散凝胶生长技术，可以制定部分复制复杂生物系统的治疗策略。本文研究了苹果醋（ACV）对鸟粪石尿晶体的影响。利用傅里叶变换红外光谱（FTIR）和粉末x射线衍射（PXRD）对生长的鸟粪石晶体进行了结构表征。通过扫描电子显微镜（SEM）分析了表面形貌。研究了ACV对鸟粪石结晶的影响，采用了数法和重量法。统计分析结果显示，ACV通过减少鸟粪石晶体的数量和重量，具有显著的体外抑制效果。对鸟粪石晶体的各种晶态尺寸进行了检测，发现细长枝晶和x形枝晶的尺寸明显减小。此外，随着浓度的增加，ACV对鸟粪石晶体的抑制作用很强，导致鸟粪石晶体完全溶解，这表明ACV是一种杰出的鸟粪石晶体体外抑制剂。这种凝胶生长技术有助于在复杂的生物学检查之前战略性地筛选出潜在的抑制物质，从而有助于防止尿路能够达到所研究的ACV浓度时鸟粪石晶体的复发或溶解。

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引用次数: 0

The effect of Cymbopogon nardus leaf ash on the setting time of cement paste 香蒲叶灰对水泥浆体凝结时间的影响

Next Materials

Pub Date : 2026-01-28 DOI: 10.1016/j.nxmate.2026.101657

Bunyamin Bunyamin , Abel Mahasin , Tasliati Djafar , Sulaiman Sulaiman , Ramadhansyah Putra Jaya

The cement industry is a significant global source of CO₂ emissions, driving the need for sustainable supplementary materials. This study investigates the potential of Cymbopogon nardus Leaf Ash (CNLA), an agricultural waste product, as a partial cement replacement to reduce the carbon footprint of construction materials. The effect of CNLA on the bulk density and setting time of cement paste was evaluated at substitution levels of 0 %, 5 %, 10 %, and 15 %. A total of 24 specimens were prepared; bulk density was measured on 5 cm cubes, and setting time was determined using a Vicat apparatus per ASTM standards. Results indicated that substitutions of up to 10 % CNLA had an insignificant effect on the hydration kinetics, with initial and final setting times remaining comparable to the control at 60 and 105 min, respectively. However, a 15 % substitution significantly delayed the setting, increasing the initial and final times to 105 and 135 min. This retardation is attributed to the low calcium oxide (CaO) content and porous microstructure of CNLA, which impedes the hydration process. The findings demonstrate that CNLA can effectively replace up to 10 % of cement without adversely altering the setting characteristics, offering a viable pathway for developing greener construction materials by valorizing local agricultural waste.

水泥行业是全球二氧化碳排放的重要来源，推动了对可持续补充材料的需求。本研究探讨了农业废弃物Cymbopogon nardus叶灰（CNLA）作为部分水泥替代品减少建筑材料碳足迹的潜力。在0 %、5 %、10 %和15 %的取代水平下，评价CNLA对水泥浆体容重和凝结时间的影响。共制备标本24份；在5个 cm的立方体上测量体积密度，并根据ASTM标准使用Vicat仪器确定凝固时间。结果表明，高达10 %的CNLA取代对水化动力学的影响不显著，初始和最终凝结时间分别为60和105 min，与对照相当。然而，15% %的替换显著延迟了设置，将初始和最终时间分别增加到105和135 min。这是由于CNLA的低氧化钙（CaO）含量和多孔结构阻碍了水化过程。研究结果表明，CNLA可以有效地替代高达10% %的水泥，而不会对水泥的凝结特性产生不利影响，这为通过利用当地农业废弃物开发更环保的建筑材料提供了一条可行的途径。

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引用次数: 0

Mutual effect of strains and spin-orbit coupling on structural, electronic, transport and optical characteristics of FASnI2Br perovskites 应变和自旋轨道耦合对FASnI2Br钙钛矿结构、电子、输运和光学特性的相互影响

Next Materials

Pub Date : 2026-01-27 DOI: 10.1016/j.nxmate.2026.101641

Nusrat Jahan , Farah B.H. Pritu , Nourin Arobi , Humayun Kabir , Md Rasidul Islam , M.Mahbubur Rahman

Energy shortages have become a global issue in the twenty-first century, as energy consumption continues to rise at an alarming rate and the fossil fuel supply is depleted. Thus, producing sustainable renewable energy to replace fossil fuels is essential to resolve energy shortages. Solar energy is the most promising, easily accessible, reusable, fresh and sustainable alternative to fossil fuels. Organic-inorganic halide perovskite solar cells (PSCs) are a rising star in third-generation photovoltaic technology, with excellent power conversion efficiencies (PCEs). However, the most extensively researched perovskites contain poisonous lead, a cumulative toxicant to human bodies that may limit their broad use. Despite multiple alternative metal ions to replace Pb, tin is used with an efficiency of over 30 %. This study uses density functional theory (DFT) to examine the strain's effect and spin-orbit coupling (SOC) on structures and properties of FASnI₂Br perovskites. FASnI₂Br perovskites show semiconducting behavior having a direct bandgap of 1.11 eV and 0.75 eV, excluding and including SOC, respectively. According to electronic studies, the B-site p-orbital influences the CBB (conduction band bottom), whereas the X-site p-orbitals impact the VBT (valence band top). Generally, tensile strains increase bandgaps, whereas compressive strains reduce them. The SOC reduces the bandgap and effective mass of the charge carrier. At zero frequency, the real dielectric constant value is 4.62, and the highest value is 7.19 under strain-free conditions. The highest loss values also vary depending on the strain. The maximum loss value for unstrained cubic FASnI₂Br structure is 1.36 at a photon energy of 16.87 eV. For the no-strained structures, the absorption coefficient is 0.055 × 10⁴, which also increased with bandgap, i,e., with increasing strains. The FASnI₂Br perovskites, with their remarkable optical and electronic properties, hold good promise for lead-free optoelectronic uses, including light-emitting diodes, solar power plants, laser beams, and optical sensors.

能源短缺已成为二十一世纪的一个全球性问题，因为能源消耗继续以惊人的速度增长，而化石燃料供应正在枯竭。因此，生产可持续的可再生能源来取代化石燃料对于解决能源短缺至关重要。太阳能是最有前途的、容易获得的、可重复使用的、新鲜的和可持续的化石燃料替代品。有机-无机卤化物钙钛矿太阳能电池（PSCs）是第三代光伏技术中的一颗新星，具有优异的功率转换效率（pce）。然而，研究最广泛的钙钛矿含有有毒的铅，这是一种对人体累积的有毒物质，可能会限制它们的广泛使用。尽管有多种金属离子替代铅，但锡的使用效率超过30% %。本文利用密度泛函理论（DFT）研究了应变和自旋轨道耦合（SOC）对FASnI2Br钙钛矿结构和性能的影响。FASnI2Br钙钛矿表现出半导体行为，直接带隙分别为1.11 eV和0.75 eV，不包括SOC和包含SOC。根据电子研究，b位p轨道影响CBB（导带底部），而x位p轨道影响VBT（价带顶部）。通常，拉伸应变增大带隙，而压缩应变减小带隙。SOC减小了带隙和载流子的有效质量。在零频率下，真实介电常数为4.62，在无应变条件下，介电常数最大值为7.19。最高损耗值也随应变的不同而变化。在光子能量为16.87 eV时，非应变立方FASnI2Br结构的最大损耗值为1.36。无应变结构的吸收系数为0.055 × 104，随带隙的增大而增大。，压力越来越大。FASnI2Br钙钛矿具有卓越的光学和电子特性，在无铅光电应用方面具有良好的前景，包括发光二极管、太阳能发电厂、激光束和光学传感器。

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引用次数: 0

Biogenic synthesis of nascent and nitrogen doped carbon dots from Cordia dichotoma G. Forst: Morphological, optical and therapeutic insights for HepG2 cancer cell line therapy 来自Cordia dichotoma G. Forst的新生和氮掺杂碳点的生物合成：形态学、光学和治疗HepG2癌细胞系的见解

Next Materials

Pub Date : 2026-01-27 DOI: 10.1016/j.nxmate.2026.101620

Megha B. Abbigeri , Bothe Thokchom , Akshata Choudhari Padti , Sapam Riches Singh , Santosh Mallikarjun Bhavi , Sudheendra Rao Kulkarni , Shalini Moses , U. Nagachandu , S. Yashaswini. , A.L. Sushma , Shivanand S. Bhat , B.P. Harini , Shyam kumar Vootla , Adarsh Hanamanth Biradar , Ramesh Babu Yarajarla

This study explores the green synthesis of carbon dots (CDs) from Cordia dichotoma and Nitrogen doped carbon dots (NCDs) using ethylene di-amine as a nitrogen source. The optical, morphological, and structural properties of CDs and NCDs were examined using various characterization techniques, revealing spherical shapes, turbostratic carbon phases, and hydrodynamic sizes of 133.9 nm (CDs) and 119.6 nm (NCDs) with zeta potentials of + 3.3 mV and + 9.2 mV, respectively. Biological analyses on HepG2 cells demonstrated IC₅₀ values of 429.1 µg/mL (CDs) and 604.5 µg/mL (NCDs), improved cell viability (78.5 % for CDs, 78.7 % for NCDs). Apoptosis analysis showed CDs and NCDs induced early and late apoptosis phases at 2.3 % and 7.9 %, and 3.6 % and 9.5 %, respectively, while reducing necrosis to 11.3 % and 8.2 %. Mitochondrial membrane potential (MMP) studies indicated a substantial increase in high MMP for CDs (315.56 %) and NCDs (135.56 %) compared to the control. Furthermore, ROS estimation revealed higher MFI-positive cells for CDs (33.67 %) and NCDs (29.18 %) relative to the control (19.21 %). These results highlight the potential of green-synthesized and nitrogen-doped CDs as therapeutic agents with enhanced stability and biological activity. The findings underscore the utility of green synthesis and heteroatom doping in enhancing the functional properties of CDs.

本研究以乙烯二胺为氮源，对Cordia二聚物和氮掺杂碳点（NCDs）进行了绿色合成。利用各种表征技术研究了CDs和NCDs的光学、形态和结构特性，揭示了CDs和NCDs的球形、涡轮碳相和水动力尺寸分别为133.9 nm （CDs）和119.6 nm (NCDs)， zeta电位分别为+ 3.3 mV和+ 9.2 mV。对HepG2细胞的生物学分析表明，IC50值为429.1 µg/mL （CDs）和604.5 µg/mL (NCDs)，提高了细胞活力（CDs为78.5 %，NCDs为78.7 %）。细胞凋亡分析显示，CDs和NCDs分别诱导了2.3 %和7.9 %，以及3.6 %和9.5 %的早期和晚期细胞凋亡，同时使坏死减少到11.3 %和8.2 %。线粒体膜电位（MMP）研究表明，与对照组相比，CDs（315.56 %）和NCDs（135.56 %）的高MMP显著增加。此外，ROS估计显示，相对于对照组（19.21 %），CDs（33.67 %）和NCDs（29.18 %）的mfi阳性细胞较高。这些结果突出了绿色合成和氮掺杂CDs作为具有增强稳定性和生物活性的治疗剂的潜力。这些发现强调了绿色合成和杂原子掺杂在增强CDs功能特性方面的应用。

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引用次数: 0