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Application of virtual deployment and hemodynamic simulation in treatment of a basal arterial dissecting aneurysm using flow diverter: A case report and literature review.
IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-10 eCollection Date: 2025-02-28 DOI: 10.1016/j.heliyon.2025.e42545
Shijie Zhu, Rong Zou, Zhiwen Lu, Yazhou Yan, Yina Wu, Jianping Xiang, Qinghai Huang

The application of flow diverters (FDs) to treat basilar artery (BA) aneurysms has been proven to be one of the most effective ways. The hemodynamic changes caused by FD have been proven to be a principal factor affecting the healing of aneurysms. Virtual deployment based on simulation technology can intuitively reflect the hemodynamic changes caused by FD, providing more information for the surgeon. A 6-year-old child presented with a week of persistent, severe headaches due to a large dissecting aneurysm in the upper-middle BA. To select the appropriate size of the stent and observe the changes in blood flow, the virtual deployment of the FD was completed in AneuPlan. The simulated results were in good agreement with postoperative digital subtraction angiography (DSA). Moreover, hemodynamic analysis indicated the overall thrombosis and healing of the aneurysm and the incomplete occlusion risk close to the left superior cerebellar artery, which was confirmed by the subsequent assessment following the FD deployment. Encouragingly, the DSA images at 28 weeks showed that the residual sac of the basilar artery aneurysm had been basically healed. This case report initially reflects the guiding role of AneuPlan in the endovascular treatment protocol for complex cerebrovascular diseases.

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引用次数: 0
A cross-sectional study of laboratory parameters 5-6 months after the first COVID-19 infection.
IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-10 eCollection Date: 2025-02-28 DOI: 10.1016/j.heliyon.2025.e42535
Taja Zore, Jasna Lojk, Katarina Reberšek, Elizabeta Božnar Alič, Urška Čegovnik Primožič, Alenka France Štiglic, Aleš Jerin, Irena Prodan Žitnik, Helena Podgornik, Nada Snoj, Barbara Ostanek, Gabriele Turel, Tatjana Lejko Zupanc, Janja Marc, Darko Černe

Objectives: Despite extensive study of COVID-19 disease, only a few studies also addressed the aftermath of the disease and potential long-term consequences. The aim of this study was to assess COVID-19 resolution through the cross-sectional analysis of an extensive range of haematological and biochemical laboratory parameters and to find potential markers still associated with disease severity 5-6-months post infection.

Methods: In this study, we analysed 92 routine biochemical, haematological and immunological parameters in 75 non-vaccinated patients 5-6 months after recorded first time SARS-CoV-2 infection without reinfection. Demographic and disease severity data were obtained through surveys.

Results: The majority of analysed parameters were within the normal reference intervals, however, statistically significant correlations with the disease severity were detected in 15 parameters: B lymphocytes, NK cells, interleukin (IL)-12, IL-1β, cortisol, ferritin, SARS-CoV-2 specific IgG and IgM antibodies, Na, Cl, creatinine, alkaline phosphatase, cholesterol, HbA1c and alpha 2 and beta 2 globulin fractions of the proteinogram.

Conclusions: Although most observed parameters returned to their normal reference intervals, significant correlations were still observed with disease severity, that could indicate either the pre-infection baseline state which affected disease outcome or minor remaining alterations in function of certain organs, pertaining their stress or damage during the acute phase of the disease.

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引用次数: 0
Efficiency comparison of natural coagulants (Cactus pads and Moringa seeds) for treating textile wastewater (in the case of Kombolcha textile industry).
IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-10 eCollection Date: 2025-02-28 DOI: 10.1016/j.heliyon.2025.e42379
Getahun Demeke Worku, Shimeles Nigussie Abate

The issue of water contamination has gotten worse worldwide due to industrialization and population increase. The wastewater discharge techniques used by Ethiopia's textile sector do not comply with the national discharge standard. Because the discharge of inadequately treated or untreated textile effluent into the environment is becoming more frequent. Thus, minimizing this trend's harm to the environment requires using the best wastewater treatment technology. Coagulation is considered one of the most effective methods for treating textile wastewaters, which technically need to have a natural or artificial coagulant added to eliminate dangerous pollutants. Nonetheless, criticism has been leveled against the use of chemical coagulants due to their serious disadvantages. This has led to an interest in substituting natural materials for chemical coagulants. The main objective of this study was to evaluate and compare the effectiveness of various powders and Moringa seed cactus pad powders when employed as a natural coagulant to clean up textile effluent. Moringa seeds and cactus pad consist of proteins (cationic and dimeric) which help in neutralizing and absorbing colloidal charges in water containing suspended solids. To examine the impacts of various operating parameters, including coagulant dose, pH, and mixing time, as well as the ideal coagulation conditions, experiments were conducted using a jar testing system. The ideal parameters were pH 4, 5 g/l of coagulant, 40 min of mixing time, 2 min of fast mixing at 100 rpm, 40 min of gradual mixing at 40 rpm, and 30 min of settling time. Under these ideal circumstances, 82.33 Moreover, cactus pad powder reduced turbidity by 53.16 %, TDS by 97 %, BOD by 58.75 %, COD by 25.37 %, Conductivity by 60 %, and TSS by 56.33 %. Therefore, using Cactus pad as a natural coagulant is advised. Rather than using Moringa seed, it efficiently eliminates turbidity, TDS, and TSS from wastewater effluents from the textile sector. Eventually, one of the natural coagulants employed in the coagulation process, Cactus pad, proved to be useful and was chosen.

由于工业化和人口增长,全世界的水污染问题日益严重。埃塞俄比亚纺织业使用的废水排放技术不符合国家排放标准。因为未经充分处理或处理不当的纺织废水排放到环境中的情况越来越频繁。因此,要尽量减少这种趋势对环境造成的危害,就必须采用最佳的废水处理技术。混凝法被认为是处理纺织废水最有效的方法之一,从技术上讲,需要添加天然或人工混凝剂来消除危险污染物。然而,由于化学混凝剂的严重缺点,人们对其使用提出了批评。因此,人们对用天然材料替代化学混凝剂产生了兴趣。本研究的主要目的是评估和比较各种粉末和辣木籽仙人掌粉末作为天然混凝剂用于净化纺织污水的效果。辣木籽和仙人掌垫由蛋白质(阳离子和二聚体)组成,有助于中和并吸收含有悬浮固体的水中的胶体电荷。为了研究各种操作参数(包括混凝剂剂量、pH 值和混合时间)以及理想混凝条件的影响,我们使用罐式测试系统进行了实验。理想参数为 pH 值 4、5 克/升混凝剂、40 分钟搅拌时间、2 分钟 100 转/分快速搅拌、40 分钟 40 转/分逐渐搅拌和 30 分钟沉淀时间。在这些理想情况下,仙人掌垫粉末减少了 82.33%,而且浊度降低了 53.16%,TDS 降低了 97%,BOD 降低了 58.75%,COD 降低了 25.37%,电导率降低了 60%,TSS 降低了 56.33%。因此,建议使用仙人掌垫作为天然凝结剂。与使用辣木籽相比,仙人掌垫可有效消除纺织行业废水中的浊度、TDS 和 TSS。最终,仙人掌垫被证明是混凝过程中使用的天然混凝剂之一,并被选中。
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引用次数: 0
Investigating small molecules in propolis as Nipah virus glycoprotein (NiV-G) inhibitors through molecular interaction studies.
IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-10 eCollection Date: 2025-02-28 DOI: 10.1016/j.heliyon.2025.e42595
Muaz Faruque, Md Afjalus Siraj, Md Nazmul Hasan Zilani, Asish Kumar Das, Md Anisuzzman, Md Monirul Islam

Despite the significant fatality rates associated with Nipah virus (NiV) outbreaks in South Asia, including Bangladesh, and India, till today, there is no approved medications to treat it. In this context, small molecules in propolis were computationally screened through pharmacokinetic and toxicity studies followed by molecular docking and dynamics simulation with Nipah virus glycoprotein (NiV-G protein) to assess their anti-Nipah potential. A thorough literature analysis was performed to identify antiviral compounds in propolis from a pool of 84 experimental articles. Following ADMET analysis, 27 molecules out of 34 were docked against NiV-G and compared with a control ligand, ribavirin, which is an investigational drug against Nipah. The molecular docking revealed that bauer-7-en-3β-yl acetate (BA) and moronic acid (MA) bound more strongly to the active site of NiV-G than ribavirin and other ligands. Investigation of root-mean-square deviation (RMSD), root mean square fluctuations (RMSF), radius of gyration (Rg), solvent accessible surface area (SASA), molecular surface area (MolSA), binding free energy (MM-PBSA), the complexity of hydrogen bonds (HBs), and secondary structure of ligand-target interactions for 100 ns by molecular dynamics (MD) simulation study further supported the docked complex's stability and compactness. Therefore, the in silico molecular interaction analysis reports that both molecules may be the possible candidates against Nipah infection.

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引用次数: 0
Tissue-specified reconstruction modeling of the head and neck structure and its application in simulating airway obstruction.
IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-10 eCollection Date: 2025-02-28 DOI: 10.1016/j.heliyon.2025.e42598
Huahui Xiong, Hui Tong, Yuhang Tian, Changjin Ji, Xiaoqing Huang, Yaqi Huang

Background and objective: Three-dimensional (3D) reconstruction of head and neck tissues has extensive clinical applications, but due to the complexity and variability of tissue structure, there is still a lack of a complete scheme to reconstruct the head and neck tissues. This study aims to establish a tissue-specified multi-directional cross-sectional image sequence construction method to capture diverse tissue contour information.

Methods: The image sequences that are most conducive to acquiring the boundary contours of the target tissue are constructed from 3D MRI images of the head and neck in a non-traditional way based on the characteristics of each target tissue, and an effective registration strategy is used to integrate the boundaries of the target tissue segmented from multiple image sequences. The NURBS (Non-Uniform Rational B-Splines) surface modeling method is used to construct the 3D structure of the head and neck based on the segmented tissue boundaries, and then the constructed structure is used to build a fluid-structure interaction model to simulate airway collapse.

Results: The multi-directional cross-sectional image sequences of head and neck tissues were reconstructed, which successfully supplemented the missing boundary information in unidirectional image sequences commonly used in anatomical reconstructions. The boundaries of the tongue and soft palate were obtained from three corresponding sequential images respectively, and nonlinear registration methods were developed to match the intersections of the target tissue boundaries segmented from different image sequences. The complete 3D head and neck structure, including the surrounding tissues of the upper airway, was accurately reconstructed, and then directly converted into a finite element model through a meshing procedure. The head and neck numerical models successfully simulate airway collapse in both the obstructive sleep apnea patient and the normal subject, providing detailed information on soft tissue deformation and predicting the values of the airway critical closing pressure.

Conclusions: A complete 3D reconstruction scheme from multi-directional image sequence construction to nonlinear boundary registration and NURBS surface generation is established. The constructed model can accurately reflect the characteristics of real anatomical structure, and can be directly used for complex numerical simulations of upper airway collapse.

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引用次数: 0
An analysis of material flow cost accounting in companies using different cost accounting systems.
IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-10 eCollection Date: 2025-02-28 DOI: 10.1016/j.heliyon.2025.e42555
Hayrettin Usul, Emre Betul Olgun

Material Flow Cost Accounting[MFCA] is a tool of environmental management accounting that anticipates the quantitative and monetary tracking of waste generated in production processes. Reporting waste in quantitative terms holds significance in emphasizing its environmental impacts while calculating the cost of waste is crucial in revealing the cost incurred by waste generation for production companies. This study aims to analyse MFCA from the perspective of companies operating in the same region but utilizing different cost accounting systems. By examining two cases side by side, it is aimed to identify similarities and differences in practices. This paper further investigates potential challenges in implementing MFCA through an analysis of two companies: one employing a process costing system and the other employing a job order costing system. The first case study was conducted in a company engaged in powder coating production using a job order costing system, while the second case study was carried out in a company engaged in sunflower oil production employing a process costing system. MFCA was effectively implemented in both companies, revealing the cost of waste, additional costs incurred due to waste recycling, and the potential for savings. The results of Case Study 1 showed that the costs of products and material losses are 92.90 % and 7.10 %, respectively. The Case Study 1 also revealed that MFCA can be dynamically applied within the job order costing system during the production period due to the system's ability to directly track material and other resource usage, enabling detailed efficiency analyses for each individual order. The results of Case Study 2 indicated that products in QC(Quantity Center) 1 are 99.80 % of total outputs. However, this ratio includes by-products, which is 55.1 % of total outputs. In QC2, products account for 90.77 % of total outputs, while 9.23 % of them are material losses. The Case Study 2 revealed the shortcomings of MFCA in evaluating by-products.

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引用次数: 0
Exploring the therapeutic potential of Danggui Shaoyao San in nephrotic syndrome: Impact on skin sodium content and renal function.
IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-10 eCollection Date: 2025-02-28 DOI: 10.1016/j.heliyon.2025.e42577
Qingzhen Xiang, Lianghou Ni, Zaiping Xu, Xiaowen Ma, Yunlai Wang, Zihua Xuan, Fan Xu

The purpose of this study was to explore the mechanism of sodium transport in the skin of rats with nephrotic syndrome (NS) and the intervention effect of Danggui Shaoyao San (DSS). NS model was established by tail vein injection of adriamycin (ADR), and different doses of DSS, vascular endothelial growth factor receptor-3 (VEGFR-3) inhibitor Levatinib and diuretic amiloride were given for intervention. We analysed serum biochemical parameters, urine sodium, skin sodium and glycosaminoglycan (GAG), lymphatic vessel density, and the expression and mRNA levels of key proteins involved in lymphangiogenesis. The results showed that DSS treatment not only significantly reduced the content of sodium ions in the skin of NS rats, but also effectively alleviated the pathological damage of the kidney, improved proteinuria and promoted the excretion of sodium in urine. At the same time, Levatinib can reduce the content of sodium ions in the skin of NS rats by inhibiting lymphangiogenesis, while amiloride can improve the state of sodium retention in the body and reduce the level of sodium ions in the skin by promoting the excretion of sodium ions in the urine of NS rats. Especially important, DSS can effectively inhibit the proliferation of renal cortical lymphatic vessels, down-regulate the expression of lymphangiogenesis related proteins and mRNA, promote urinary sodium excretion, and inhibit the transport of sodium ions from kidney to skin. In summary, this study reveals that during sodium retention in NS rats, sodium ions can be further transported to the skin for storage through increased lymph in the kidney, and DSS can inhibit renal lymphangiogenesis, promote urinary sodium excretion, and reduce the content of sodium ions in the skin, which provides a novel and potential strategy for the treatment of NS edema.

{"title":"Exploring the therapeutic potential of Danggui Shaoyao San in nephrotic syndrome: Impact on skin sodium content and renal function.","authors":"Qingzhen Xiang, Lianghou Ni, Zaiping Xu, Xiaowen Ma, Yunlai Wang, Zihua Xuan, Fan Xu","doi":"10.1016/j.heliyon.2025.e42577","DOIUrl":"https://doi.org/10.1016/j.heliyon.2025.e42577","url":null,"abstract":"<p><p>The purpose of this study was to explore the mechanism of sodium transport in the skin of rats with nephrotic syndrome (NS) and the intervention effect of Danggui Shaoyao San (DSS). NS model was established by tail vein injection of adriamycin (ADR), and different doses of DSS, vascular endothelial growth factor receptor-3 (VEGFR-3) inhibitor Levatinib and diuretic amiloride were given for intervention. We analysed serum biochemical parameters, urine sodium, skin sodium and glycosaminoglycan (GAG), lymphatic vessel density, and the expression and mRNA levels of key proteins involved in lymphangiogenesis. The results showed that DSS treatment not only significantly reduced the content of sodium ions in the skin of NS rats, but also effectively alleviated the pathological damage of the kidney, improved proteinuria and promoted the excretion of sodium in urine. At the same time, Levatinib can reduce the content of sodium ions in the skin of NS rats by inhibiting lymphangiogenesis, while amiloride can improve the state of sodium retention in the body and reduce the level of sodium ions in the skin by promoting the excretion of sodium ions in the urine of NS rats. Especially important, DSS can effectively inhibit the proliferation of renal cortical lymphatic vessels, down-regulate the expression of lymphangiogenesis related proteins and mRNA, promote urinary sodium excretion, and inhibit the transport of sodium ions from kidney to skin. In summary, this study reveals that during sodium retention in NS rats, sodium ions can be further transported to the skin for storage through increased lymph in the kidney, and DSS can inhibit renal lymphangiogenesis, promote urinary sodium excretion, and reduce the content of sodium ions in the skin, which provides a novel and potential strategy for the treatment of NS edema.</p>","PeriodicalId":12894,"journal":{"name":"Heliyon","volume":"11 4","pages":"e42577"},"PeriodicalIF":3.4,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11883388/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143572804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Understanding motorcycle rider behavior and the related traffic contexts in Indonesia using naturalistic driving study.
IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-10 eCollection Date: 2025-02-28 DOI: 10.1016/j.heliyon.2025.e42494
Winda Halim, Maya Arlini Puspasari, Ridwan Aji Budi Prasetyo, Yusuf Ardiansyah, Listiani Nurul Huda, Idham Halid Lahay, Lovely Lady, Fatin Saffanah Didin, Manik Mahachandra, Hardianto Iridiastadi

Motorcycle crash fatalities remain a significant concern in Indonesia. Understanding the traffic events leading to such crashes is crucial for designing effective mitigation strategies. This preliminary study aimed to identify and analyze safety-critical events (SCEs) experienced by motorcycle riders. Using a naturalistic approach, 79 participants from six cities were observed while riding their motorcycles during daily routines, covering a total of 1036 km. A camera mounted on the rear-view mirror captured their riding behavior and traffic situations. Trained analysts conducted interviews with participants and reviewed video footage to identify and quantify SCEs. The study found no significant differences in the number of SCEs across cities but revealed notable differences in their causes. While rider behavior was a key factor, a substantial proportion of SCEs were attributed to the actions of other road users, such as near crashes caused by overtaking between opposing traffic. These findings highlight the need for comprehensive mitigation strategies, including rider education, improved road design, and better traffic signage.

{"title":"Understanding motorcycle rider behavior and the related traffic contexts in Indonesia using naturalistic driving study.","authors":"Winda Halim, Maya Arlini Puspasari, Ridwan Aji Budi Prasetyo, Yusuf Ardiansyah, Listiani Nurul Huda, Idham Halid Lahay, Lovely Lady, Fatin Saffanah Didin, Manik Mahachandra, Hardianto Iridiastadi","doi":"10.1016/j.heliyon.2025.e42494","DOIUrl":"10.1016/j.heliyon.2025.e42494","url":null,"abstract":"<p><p>Motorcycle crash fatalities remain a significant concern in Indonesia. Understanding the traffic events leading to such crashes is crucial for designing effective mitigation strategies. This preliminary study aimed to identify and analyze safety-critical events (SCEs) experienced by motorcycle riders. Using a naturalistic approach, 79 participants from six cities were observed while riding their motorcycles during daily routines, covering a total of 1036 km. A camera mounted on the rear-view mirror captured their riding behavior and traffic situations. Trained analysts conducted interviews with participants and reviewed video footage to identify and quantify SCEs. The study found no significant differences in the number of SCEs across cities but revealed notable differences in their causes. While rider behavior was a key factor, a substantial proportion of SCEs were attributed to the actions of other road users, such as near crashes caused by overtaking between opposing traffic. These findings highlight the need for comprehensive mitigation strategies, including rider education, improved road design, and better traffic signage.</p>","PeriodicalId":12894,"journal":{"name":"Heliyon","volume":"11 4","pages":"e42494"},"PeriodicalIF":3.4,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11874538/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143541458","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dynamic tuning of optoelectronic and mechanical properties in TlMCl3 (M = Ge, Sn) under pressure-induced phase transition.
IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-10 eCollection Date: 2025-02-28 DOI: 10.1016/j.heliyon.2025.e42603
M H Mia, Mst A Khatun

Recent advances in lead-free halide perovskites have expanded their potential use in solar panels and optoelectronic applications. Motivated by their excellent properties, we investigate the physical characteristics of two lead-free halide perovskites, TlMCl3 (M = Ge, Sn), under hydrostatic pressure. This paper explores the pressure-induced semiconductor-to-metal phase transition in halide perovskites TlMCl3 (M = Ge, Sn), focusing on their optoelectronic and mechanical properties. Using density functional theory (DFT), the study investigates structural, electronic, optical, and mechanical changes under hydrostatic pressures up to 6.5 GPa. Both TlGeCl3 and TlSnCl3 maintain a cubic perovskite structure, but exhibit decreasing lattice parameters and unit cell volumes with increased pressure. Electronic analyses reveal a transition from semiconducting to metallic states for both materials under pressure: TlGeCl3's band gap collapses to 0 eV at 6 GPa and TlSnCl3 at 6.5 GPa according to TB-mbj, with GGA-PBE predicting transitions at 5 GPa for TlGeCl3 and 3 GPa for TlSnCl3. This transition is confirmed through partial density of states (PDOS) and band structure calculations. The SOC effect reduces the bandgap in TlMCl3 (M = Ge, Sn), boosting their optoelectronic application potential. Enhanced dielectric constants and refractive indices under pressure improve their efficiency in solar cells and LEDs by reducing carrier recombination and strengthening photon-electron interactions. Their high transparency, UV reflectivity, and increased absorption and conductivity under pressure make them suitable for UV coatings, optical filters, and advanced optoelectronic devices. Mechanical analyses show improved stiffness and ductility, with TlSnCl3 demonstrating excellent machinability. The pressure-enhanced ductility of TlMCl3 (M = Ge, Sn) makes it suitable for flexible electronics, wearable devices, and robust solar cells. Furthermore, their outstanding photovoltaic potential is driven by large optical absorption and high charge carrier mobility, aided by their small effective masses.

{"title":"Dynamic tuning of optoelectronic and mechanical properties in TlMCl<sub>3</sub> (M = Ge, Sn) under pressure-induced phase transition.","authors":"M H Mia, Mst A Khatun","doi":"10.1016/j.heliyon.2025.e42603","DOIUrl":"10.1016/j.heliyon.2025.e42603","url":null,"abstract":"<p><p>Recent advances in lead-free halide perovskites have expanded their potential use in solar panels and optoelectronic applications. Motivated by their excellent properties, we investigate the physical characteristics of two lead-free halide perovskites, TlMCl<sub>3</sub> (M = Ge, Sn), under hydrostatic pressure. This paper explores the pressure-induced semiconductor-to-metal phase transition in halide perovskites TlMCl<sub>3</sub> (M = Ge, Sn), focusing on their optoelectronic and mechanical properties. Using density functional theory (DFT), the study investigates structural, electronic, optical, and mechanical changes under hydrostatic pressures up to 6.5 GPa. Both TlGeCl<sub>3</sub> and TlSnCl<sub>3</sub> maintain a cubic perovskite structure, but exhibit decreasing lattice parameters and unit cell volumes with increased pressure. Electronic analyses reveal a transition from semiconducting to metallic states for both materials under pressure: TlGeCl<sub>3</sub>'s band gap collapses to 0 eV at 6 GPa and TlSnCl<sub>3</sub> at 6.5 GPa according to TB-mbj, with GGA-PBE predicting transitions at 5 GPa for TlGeCl<sub>3</sub> and 3 GPa for TlSnCl<sub>3</sub>. This transition is confirmed through partial density of states (PDOS) and band structure calculations. The SOC effect reduces the bandgap in TlMCl<sub>3</sub> (M = Ge, Sn), boosting their optoelectronic application potential. Enhanced dielectric constants and refractive indices under pressure improve their efficiency in solar cells and LEDs by reducing carrier recombination and strengthening photon-electron interactions. Their high transparency, UV reflectivity, and increased absorption and conductivity under pressure make them suitable for UV coatings, optical filters, and advanced optoelectronic devices. Mechanical analyses show improved stiffness and ductility, with TlSnCl<sub>3</sub> demonstrating excellent machinability. The pressure-enhanced ductility of TlMCl<sub>3</sub> (M = Ge, Sn) makes it suitable for flexible electronics, wearable devices, and robust solar cells. Furthermore, their outstanding photovoltaic potential is driven by large optical absorption and high charge carrier mobility, aided by their small effective masses.</p>","PeriodicalId":12894,"journal":{"name":"Heliyon","volume":"11 4","pages":"e42603"},"PeriodicalIF":3.4,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11872485/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143541130","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Physicochemical and sensory quality of breakfast cereals produced from flour blends of maize and pigeon pea. 用玉米和豌豆混合粉生产的早餐谷物的理化和感官质量。
IF 3.4 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-10 eCollection Date: 2025-02-28 DOI: 10.1016/j.heliyon.2025.e42612
Clement Chinedum Ezegbe, Smith G Nkhata, Ekpeno Sunday Ukpong, Mary Chikodili Ezeh, Kalu Sunday Okocha, Bernard Femi Pedro

Breakfast cereals offer affordable, quick and convenient meal options. This study examined the proximate, techno-functional, mineral and sensory qualities of breakfast cereals produced from a flour blend of maize and pigeon peas. Maize flour was substituted with pigeon pea flour at 0 %, 10 %, 20 %, 30 %, 40 % and 50 % levels. The composite flours (100 g), sugar (25 g), salt (5 g) and water (50 ml) were mixed to form a paste, baked at 110 °C for 1 h then cooled. The proximate composition, techno-functional properties, minerals and sensory quality were evaluated. With increase in pigeon pea flour incorporation, there were increase in crude protein from 10.93 to 14.30 %, ash from 1.56 to 3.11 % while crude fibre from 1.25 to 3.37 %. In contrast, there was significant (p < 0.05) decrease in water absorption capacity from 361.30 to 181.83 %. With 50 % pigeon pea flour incorporation, calcium significantly increased from 27.95 to 44.55 mg/100g while iron and magnesium decreased from 3.92 to 2.16 mg/100g and 75.07 to 63.16 mg/100g, respectively. Breakfast cereal containing maize:pigeon pea flour in the ratio 80:20 and 70:30 generally had the highest mean sensory scores on a 7-point Hedonic scale. This suggests that maize flour can be substituted with pigeon pea up to 30 % without producing significant changes in the sensory quality.

{"title":"Physicochemical and sensory quality of breakfast cereals produced from flour blends of maize and pigeon pea.","authors":"Clement Chinedum Ezegbe, Smith G Nkhata, Ekpeno Sunday Ukpong, Mary Chikodili Ezeh, Kalu Sunday Okocha, Bernard Femi Pedro","doi":"10.1016/j.heliyon.2025.e42612","DOIUrl":"https://doi.org/10.1016/j.heliyon.2025.e42612","url":null,"abstract":"<p><p>Breakfast cereals offer affordable, quick and convenient meal options. This study examined the proximate, techno-functional, mineral and sensory qualities of breakfast cereals produced from a flour blend of maize and pigeon peas. Maize flour was substituted with pigeon pea flour at 0 %, 10 %, 20 %, 30 %, 40 % and 50 % levels. The composite flours (100 g), sugar (25 g), salt (5 g) and water (50 ml) were mixed to form a paste, baked at 110 °C for 1 h then cooled. The proximate composition, techno-functional properties, minerals and sensory quality were evaluated. With increase in pigeon pea flour incorporation, there were increase in crude protein from 10.93 to 14.30 %, ash from 1.56 to 3.11 % while crude fibre from 1.25 to 3.37 %. In contrast, there was significant (p < 0.05) decrease in water absorption capacity from 361.30 to 181.83 %. With 50 % pigeon pea flour incorporation, calcium significantly increased from 27.95 to 44.55 mg/100g while iron and magnesium decreased from 3.92 to 2.16 mg/100g and 75.07 to 63.16 mg/100g, respectively. Breakfast cereal containing maize:pigeon pea flour in the ratio 80:20 and 70:30 generally had the highest mean sensory scores on a 7-point Hedonic scale. This suggests that maize flour can be substituted with pigeon pea up to 30 % without producing significant changes in the sensory quality.</p>","PeriodicalId":12894,"journal":{"name":"Heliyon","volume":"11 4","pages":"e42612"},"PeriodicalIF":3.4,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11872418/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143541485","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Heliyon
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