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Evaluation of coating materials on the characterization of size and viability of virus-laden particles collected with an Andersen cascade impactor 评估涂层材料对安徒生级联冲击器收集的病毒颗粒的大小和存活能力的影响
IF 3.9 3区 环境科学与生态学 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-08-12 DOI: 10.1016/j.jaerosci.2024.106454
Lan Wang , My Yang , Yuechen Qiao , Bernard A. Olson , Christopher J. Hogan Jr. , Peter C. Raynor , Sagar M. Goyal , Montserrat Torremorell

Airborne pathogens are typically associated with particles, and the transport behavior of these particles is largely driven by their size. To better understand airborne transmission of viral diseases and develop effective control measures, proper size characterization of virus-laden particles is essential. The Andersen cascade impactor (ACI) is an 8-stage air sampler that separates aerosol particles into 9 aerodynamic size fractions. During sampling with an ACI under certain conditions, particles may bounce upon impact with the collection plates of the ACI, leading to eventual deposition on a stage further downstream than their target stage. Coating collection plates with adhesive materials may help decrease particle bounce; however, it may also affect the viability of collected pathogens. In this study, we evaluated different materials for their ability to minimize particle bounce while conserving virus viability during the collection of viral aerosol particles with an ACI. We evaluated nine materials - Tween® 80, silicone oil, Span® 85, Brij® 35, glycerol, mineral oil, gelatin, bovine serum albumin, and virus growth media - on their effect to inactivate H1N1 influenza virus and bovine coronavirus, a surrogate of SARS-CoV-2. Plates coated with gelatin, silicone oil, and mineral oil resulted in the least reduction of viability for both viruses. These materials were then used to sample viral aerosol particles in a wind tunnel. Results of physical particle collection, viral load and viral viability from the various ACI stages revealed no significant differences in aerodynamic size distribution between coated and uncoated plates, and the size distribution was similar to that reported by an optical particle sizer. Overall, our results did not support the need to coat ACI collection plates when characterizing viral aerosol particles under the conditions of this study. However, we did identify potential coating materials which could conserve virus viability maximally, if particle bounce is of concern.

空气传播的病原体通常与微粒有关,而这些微粒的传播行为在很大程度上受其大小的影响。为了更好地了解病毒性疾病在空气中的传播并制定有效的控制措施,对含有病毒的微粒进行适当的尺寸表征至关重要。安徒生级联冲击器(ACI)是一种 8 级空气采样器,可将气溶胶粒子分成 9 个空气动力学尺寸分段。在某些条件下使用 ACI 采样时,颗粒在撞击 ACI 的收集板时可能会反弹,导致最终沉积在比目标阶段更下游的阶段上。在收集板上涂上粘合材料可能有助于减少颗粒反弹,但也可能影响收集到的病原体的存活率。在这项研究中,我们评估了不同材料在使用 ACI 收集病毒气溶胶粒子时最大程度减少粒子反弹同时保持病毒活力的能力。我们评估了九种材料(吐温® 80、硅油、Span® 85、Brij® 35、甘油、矿物油、明胶、牛血清白蛋白和病毒生长培养基)灭活 H1N1 流感病毒和牛冠状病毒(SARS-CoV-2 的替代病毒)的效果。涂有明胶、硅油和矿物油的平板对这两种病毒的存活率降低得最少。然后用这些材料在风洞中对病毒气溶胶颗粒进行采样。不同 ACI 阶段的物理颗粒收集、病毒载量和病毒存活率结果显示,有涂层和无涂层平板的气动粒度分布没有明显差异,而且粒度分布与光学颗粒测定仪报告的粒度分布相似。总体而言,我们的研究结果并不支持在本研究的条件下对 ACI 收集板进行病毒气溶胶颗粒表征时涂布涂层的必要性。不过,我们确实发现了一些潜在的涂层材料,如果担心颗粒反弹,这些材料可以最大限度地保持病毒的活力。
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引用次数: 0
Effect of airway wall motion on particle deposition and delivery in the neonatal trachea 气道壁运动对新生儿气管中颗粒沉积和输送的影响
IF 3.9 3区 环境科学与生态学 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-08-10 DOI: 10.1016/j.jaerosci.2024.106450
Chamindu C. Gunatilaka , Christopher McKenzie , Qiwei Xiao , Nara S. Higano , Jason C. Woods , Alister J. Bates

Modeling pulmonary drug delivery in the airway using computational fluid dynamics (CFD) simulations tracks drug particles throughout the airway, providing valuable information on the deposition location of inhaled drugs. However, most studies simulate particle transport within static airway models that do not incorporate physiological airway motion; this choice limits accuracy since airway motion directly affects particle transport and deposition, notably in newborns with airway abnormalities such as tracheomalacia. The objective of this study is to determine the effect of airway motion on drug delivery in neonates with and without airway disease. For this study, two control subjects without any airway disease and three subjects with tracheomalacia (dynamic tracheal narrowing) were enrolled. Each subject was imaged at approximately 40-weeks post-menstrual age using magnetic resonance imaging (MRI). MRI data were retrospectively reconstructed to obtain static airway images gated to different time points of the breath (i.e., end expiration and end inspiration) and an image representing combined data from all timepoints (ungated). Virtual airway surfaces (pharynx to main bronchi) were made from each MR image. A moving airway surface was created from surface registration of these surfaces and used as the boundary for a CFD simulation of one inhalation, along with subject-specific inspiratory flow waveforms. To assess the effect of airway wall motion on particle deposition, static-walled simulations, based on the airway surfaces at end inspiration, end expiration, and the ungated airway surface, were also performed using the same flow boundary conditions. Particle transport (particles diameter range 0.5–15 μm) was compared between the simulations during the inhalation. Airway surface motion affected particle transport into the small airways by 65% on average (0.5–5 μm– 22%, 5-15 μm– 86%) compared to static-walled simulations, while comparison between static end expiration and other static-walled simulations using geometries acquired during different phases of breathing differed by more than 500% on average (0.5–5 μm– 45%, 5-15 μm– 741%). For particle deposition, airway surface motion affected by 43% on average (0.5–5 μm– 86%, 5-15 μm– 21%) compared to static-walled simulations and comparison between static end expiration and other static-walled simulations differed by 47% on average (0.5–5 μm– 58%, 5-15 μm– 41%). Differences between dynamic and static deposition results and between static simulations from different timepoints occurred in patients with and without airway disease. This study suggests the importance of using airway wall motion in CFD simulations to model aerosolized drug delivery in the airway. If a CFD simulation is limited to only a static airway image without physiological motion, particle deposition mapping may yield markedly inaccurate results, potentially resulting in higher or lower drug dosing than intended.

利用计算流体动力学(CFD)模拟对气道中的肺部给药进行建模,可跟踪整个气道中的药物颗粒,为吸入药物的沉积位置提供有价值的信息。然而,大多数研究都是在静态气道模型中模拟微粒传输,没有考虑气道的生理运动;这种选择限制了准确性,因为气道运动会直接影响微粒传输和沉积,尤其是在气道异常(如气管畸形)的新生儿中。本研究的目的是确定气道运动对患有和未患有气道疾病的新生儿药物输送的影响。在这项研究中,我们招募了两名没有任何气道疾病的对照组受试者和三名患有气管畸形(动态气管狭窄)的受试者。每个受试者都在月龄后约 40 周时接受了磁共振成像(MRI)检查。对核磁共振成像数据进行回顾性重建,以获得与呼吸不同时间点(即呼气末和吸气末)相关的静态气道图像,以及代表所有时间点(非相关)综合数据的图像。根据每张磁共振图像制作虚拟气道表面(咽部至主支气管)。根据这些表面的表面注册创建移动气道表面,并将其作为一次吸气的 CFD 模拟边界,同时生成特定受试者的吸气流量波形。为了评估气道壁运动对粒子沉积的影响,还使用相同的气流边界条件,根据吸气末、呼气末的气道表面和未关闭的气道表面进行了静态气道壁模拟。在吸气过程中,对模拟结果中的颗粒传输(颗粒直径范围为 0.5-15 μm)进行了比较。与静壁模拟相比,气道表面运动对进入小气道的颗粒传输的影响平均为 65%(0.5-5 μm- 22%,5-15 μm- 86%),而静态呼气末与使用在不同呼吸阶段获得的几何图形进行的其他静壁模拟之间的比较平均相差 500% 以上(0.5-5 μm- 45%,5-15 μm- 741%)。在粒子沉积方面,与静壁模拟相比,气道表面运动平均受到 43% 的影响(0.5-5 μm- 86%,5-15 μm- 21%),而静态呼气末与其他静壁模拟相比,平均相差 47%(0.5-5 μm- 58%,5-15 μm- 41%)。气道疾病患者和非气道疾病患者的动态和静态沉积结果之间以及不同时间点的静态模拟结果之间存在差异。这项研究表明,在 CFD 模拟中使用气道壁运动来模拟气溶胶药物在气道中的输送非常重要。如果 CFD 模拟仅局限于没有生理运动的静态气道图像,粒子沉积图可能会产生明显不准确的结果,从而可能导致药物剂量高于或低于预期剂量。
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引用次数: 0
A high-throughput, turbulent-mixing, condensation aerosol concentrator for direct aerosol collection as a liquid suspension 用于以液体悬浮液形式直接收集气溶胶的高通量、湍流混合、冷凝气溶胶浓缩器
IF 3.9 3区 环境科学与生态学 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-08-05 DOI: 10.1016/j.jaerosci.2024.106442
Orthodoxia Zervaki , Dionysios D. Dionysiou , Pramod Kulkarni

Trace measurement of aerosol chemical composition in workplace atmospheres requires the development of high-throughput aerosol collectors that are compact, hand-portable, and can be operated using personal pumps. We describe the design and characterization of a compact, high flow, Turbulent-mixing Condensation Aerosol-in-Liquid Concentrator (TCALC) that allows direct collection of aerosols as liquid suspensions, for off-line chemical, biological, or microscopy analysis. The TCALC unit, measuring approximately 12 × 16 × 18 cm, operates at an aerosol sample flowrate of up to 10 L min−1, using rapid mixing of a hot flow saturated with water vapor and a cold aerosol sample flow, thereby promoting condensational growth of aerosol particles. We investigated the effect of operating parameters such as vapor temperature, growth tube wall temperature, and aerosol sample flowrate, along with the effect of particle diameter, inlet humidity, aerosol concentration, and operation time on TCALC performance. Nanoparticles with an initial aerodynamic diameter ≥25 nm could grow to droplet diameters >1400 nm with an efficiency ≥80%. Good droplet growth efficiency was achieved for sampled aerosol relative humidity ≥9%. We measured complete aerosol collection for concentrations of ≤3 × 105 cm−3. The results showed good agreement between the particulate mass collected through the liquid collector and direct filter collection. The TCALC eliminates the need for sample preparation and filter digestion during chemical analysis, thereby increasing sample recovery and substantially improving the limit of detection and sensitivity of off-line trace analysis of collected liquid samples.

要对工作场所大气中的气溶胶化学成分进行痕量测量,就必须开发出结构紧凑、便于携带并可使用个人泵操作的高通量气溶胶收集器。我们介绍了紧凑型大流量湍流混合冷凝气溶胶液中浓缩器(TCALC)的设计和特性,该浓缩器可直接收集液态悬浮气溶胶,用于离线化学、生物或显微镜分析。TCALC 装置的尺寸约为 12 × 16 × 18 厘米,气溶胶样品流速高达 10 升/分钟,利用水蒸气饱和的热流与冷气溶胶样品流的快速混合,从而促进气溶胶颗粒的冷凝生长。我们研究了蒸汽温度、生长管壁温度和气溶胶样品流速等操作参数的影响,以及颗粒直径、入口湿度、气溶胶浓度和操作时间对 TCALC 性能的影响。初始气动直径≥25 nm的纳米粒子可以生长到直径为1400 nm的液滴,生长效率≥80%。采样气溶胶相对湿度≥9%时,液滴生长效率较高。我们测量了浓度≤3 × 105 cm-3 的完整气溶胶收集。结果表明,通过液体收集器收集的微粒质量与直接过滤收集的微粒质量非常一致。TCALC 无需在化学分析过程中进行样品制备和过滤器消解,从而提高了样品回收率,并大大提高了对收集到的液体样品进行离线痕量分析的检测限和灵敏度。
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引用次数: 0
Evidence of oxygenated species in laser-irradiated carbon particles 激光照射碳颗粒中含氧物种的证据
IF 3.9 3区 环境科学与生态学 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-08-03 DOI: 10.1016/j.jaerosci.2024.106440
Francesca Migliorini , Roberto Dondé , Andrea Lucotti , Mauro Fasoli , Matteo Tommasini , Silvana De Iuliis

Combustion-generated carbon nanoparticles exhibit a variety of optical and physicochemical properties. Therefore, when applying laser diagnostic tools for monitoring purpose, it is important to consider the different response of the particles with varying properties as well as the impact of laser irradiation on these properties. In this work, we analyze the possible modification of particle optical and physicochemical properties by coupling extinction measurements with FT-IR and Raman spectroscopy. The aim is to retrieve optical, chemical, and structural properties of the particles under analysis. To our knowledge, the approach proposed in this work has not yet been performed on irradiated particles. Particles are sampled from a premixed flame at two heights above the burner, representing two different aging stages. While extinction measurements are carried out in-flow, FT-IR and Raman spectroscopy are performed on particles collected for ex-situ analysis. Moreover, the analysis is conducted on both pristine and irradiated nanoparticles with one and ten laser shots. While nascent particles do not exhibit relevant modification under laser irradiation, heating mature particles with one or more laser pulses of relatively high energy density is observed to significantly affect absorption properties, particle structures and specific surface functionalities. The presence of oxygenated species in mature particles and in particular the structures spectroscopically correlated with graphene oxide indicates that specific chemical reaction pathways can occur under laser irradiation, likely promoted in the ambient condition under analysis.

燃烧产生的碳纳米颗粒具有多种光学和物理化学特性。因此,在应用激光诊断工具进行监测时,必须考虑不同性质颗粒的不同反应以及激光辐照对这些性质的影响。在这项工作中,我们通过将消光测量与傅立叶变换红外光谱和拉曼光谱联用,分析了颗粒的光学和物理化学特性可能发生的变化。其目的是检索被分析粒子的光学、化学和结构特性。据我们所知,这项工作中提出的方法尚未在辐照粒子上应用过。粒子从燃烧器上方两个高度的预混合火焰中取样,代表两个不同的老化阶段。在流内进行消光测量的同时,对收集的颗粒进行傅立叶变换红外光谱和拉曼光谱分析。此外,还对原始纳米颗粒和经过一次和十次激光照射的纳米颗粒进行了分析。虽然新生颗粒在激光辐照下不会出现相关的改变,但用一个或多个能量密度相对较高的激光脉冲加热成熟颗粒,会显著影响吸收特性、颗粒结构和特定的表面功能。成熟颗粒中含氧物种的存在,特别是与氧化石墨烯光谱相关的结构,表明在激光辐照下可能会发生特定的化学反应途径,这很可能在分析的环境条件下得到促进。
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引用次数: 0
Molecular dynamics study of sintering of faceted cubic boron nitride nanoparticles at high temperatures 面状立方氮化硼纳米粒子高温烧结的分子动力学研究
IF 3.9 3区 环境科学与生态学 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-07-31 DOI: 10.1016/j.jaerosci.2024.106441
Hsiao-Fang Lee , Keivan Esfarjani , Assimina Pelegri , Stephen D. Tse

The sintering mechanisms and temperature dependence of coalescence of colliding cubic boron nitride (c-BN) nanoparticles are investigated using classical molecular dynamics (MD) simulation. Particle-particle collisions of 2.55-nm octahedral c-BN nanoparticles, consisting solely of the most stable {111} facets, with half of the surface terminations being boron and the other half nitrogen, are analyzed statistically and evaluated to assess the initial temperature range (2500 K – 3100 K) for sintering and its effect on grain growth. At these temperatures, the collision process maximizes contact surface area through interfacial sliding, thereby minimizing free energy and accommodating dangling bonds. Moreover, the exothermic formation of bonds of the coalescing nanoparticles increases the temperature. The alignment of the {111} orientation of the two collided nanoparticles occurs at a temperature slightly above the melting point, and rapid grain growth happens when the temperature is a few hundred degrees higher than that. However, phase separation also takes place at the corners away from the collision plane of the merging nanoparticles. Between 3100 K and 3250 K, crystalline alignment occurs, which aids the sintering process and allows for the formation of a well-structured nanocluster. However, above 3300 K, phase separation dominates and drives the melting of the entire sintered nanocluster.

利用经典分子动力学(MD)模拟研究了碰撞立方氮化硼(c-BN)纳米粒子的烧结机理和凝聚的温度依赖性。2.55 纳米八面体立方氮化硼(c-BN)纳米粒子仅由最稳定的{111}面组成,其表面端点一半为硼,另一半为氮,对这些粒子间的碰撞进行了统计分析和评估,以评估烧结的初始温度范围(2500 K - 3100 K)及其对晶粒生长的影响。在这些温度下,碰撞过程通过界面滑动使接触表面积最大化,从而使自由能最小化并容纳悬空键。此外,凝聚纳米粒子的键的放热形成也会提高温度。两个碰撞的纳米粒子的{111}取向对齐发生在略高于熔点的温度下,而当温度高于熔点几百度时,晶粒会迅速生长。然而,相分离也发生在远离合并纳米粒子碰撞平面的角落。在 3100 K 到 3250 K 之间,晶体会发生排列,这有助于烧结过程,并能形成结构良好的纳米团簇。然而,在 3300 K 以上,相分离占主导地位,并促使整个烧结纳米团簇熔化。
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引用次数: 0
Holistic assessment of advanced technology for ultrafine particle filtration in car cabins 汽车舱室超细颗粒过滤先进技术的整体评估
IF 3.9 3区 环境科学与生态学 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-07-31 DOI: 10.1016/j.jaerosci.2024.106439
Matisse Lesage , David Chalet , Jérôme Migaud , Christoph Krautner

Requirements on cabin air quality are constantly increasing. The objective is to protect the passengers from ultrafine particles and harmful gases, particularly in small volumes such as car cabins, where pollution is more concentrated in absence of any filtration strategy. It is necessary to extend the single filter approach and combine it with advanced filtration technologies (high separation efficiency), and thus create an effective multistage filtration system. The investigation work is built around a holistic approach. A complete 1D-simulation model has been calibrated with experimental results from a dedicated test rig and an electric vehicle. The results showed a significant improvement of particle level in the cabin with the advanced filtration system. Additionally, an appropriate ventilation strategy has been implemented to deal with the air entering the cabin by other means than the blower operation. This “infiltration”, triggered by vehicle speed, allows pollution to enter the cabin without any filtration stage.

对车厢空气质量的要求不断提高。其目的是保护乘客免受超细颗粒和有害气体的影响,尤其是在车厢这样的小空间内,如果没有任何过滤策略,污染会更加集中。有必要扩展单过滤器方法,并将其与先进的过滤技术(高分离效率)相结合,从而创建一个有效的多级过滤系统。这项研究工作围绕一个整体方法展开。利用专用试验台和电动汽车的实验结果,对完整的一维仿真模型进行了校准。结果表明,采用先进的过滤系统后,车厢内的颗粒物水平有了明显改善。此外,还实施了适当的通风策略,以处理通过鼓风机以外的其他方式进入车厢的空气。这种由车速引发的 "渗透 "使得污染无需任何过滤阶段即可进入车厢。
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引用次数: 0
Corrigendum to “Evaluation of methods for characterizing the fine particulate matter emissions from aircraft and other diffusion flame combustion aerosol sources”[Journal of Aerosol Science 178 (2024) 106352] "飞机和其他扩散火焰燃烧气溶胶源细颗粒物排放表征方法评估"[《气溶胶科学杂志》178 (2024) 106352]更正
IF 3.9 3区 环境科学与生态学 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-07-29 DOI: 10.1016/j.jaerosci.2024.106435
Robert Giannelli , Jeffrey Stevens , John S. Kinsey , David Kittelson , Alla Zelenyuk , Robert Howard , Mary Forde , Brandon Hoffman , Cullen Leggett , Bruce Maeroff , Nick Bies , Jacob Swanson , Kaitlyn Suski , Gregory Payne , Julien Manin , Richard Frazee , Timothy B. Onasch , Andrew Freedman , Imad Khalek , Huzeifa Badshah , Scott Agnew
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引用次数: 0
Understanding regional aerosol deposition in pediatric airways during oral breathing: Insights from computational modeling 了解口腔呼吸时小儿气道中的区域性气溶胶沉积:计算建模的启示
IF 3.9 3区 环境科学与生态学 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-07-26 DOI: 10.1016/j.jaerosci.2024.106438
Kineshta Pillay , Warren H. Finlay , Andrew R. Martin

While there has been considerable investigation into the deposition of inhaled aerosols in the airways of adults, less is known about where aerosols deposit in the lungs of children. Clinical investigation into aerosol deposition in children is complicated by ethical concerns surrounding ionizing radiation studies in children. To meet the need for non-clinical methods of estimating regional deposition in pediatric airways, multiple in silico models were developed to represent the lungs of girls and boys aged 6, 8, 10 and 12 years. The models were symmetric and used a single-path deterministic approach to calculate aerosol deposition in the airways. Regional deposition estimates were provided for children using a fixed set of controlled breathing patterns before characterizing regional deposition during typical tidal breathing in each age group. Deposition patterns were found to be strongly influenced by inhalation flow rate and aerodynamic particle size. Differences between boys and girls in the fraction of inhaled aerosol depositing were minimal during fixed breathing patterns, with higher deposition in all regions of the younger age groups. However, when breathing patterns were adjusted to represent typical tidal breathing in each age group, age differences in the regional fraction of particles depositing became negligible. Moreover, peak deposition fractions in both the conducting and peripheral airways occurred within a narrow range of aerodynamic particle diameters between 2.4 and 2.6 μm, a smaller size range than for adults. During exposure over a fixed period of time, age-related differences in minute ventilation resulted in a larger aerosol dose depositing in the intrathoracic airways of older children. Such differences suggest that to achieve comparative dosing in this age range, older children should inhale aerosols for a shorter time. These findings provide an improved understanding of regional deposition in pediatric airways and will assist in optimizing regional drug delivery to children.

虽然对吸入气溶胶在成人气道中的沉积情况进行了大量研究,但对气溶胶在儿童肺部的沉积情况却知之甚少。由于儿童电离辐射研究的伦理问题,对儿童气溶胶沉积情况的临床研究变得更加复杂。为了满足对估计儿童气道区域沉积的非临床方法的需求,我们开发了多个硅学模型来代表 6、8、10 和 12 岁女孩和男孩的肺部。这些模型是对称的,采用单路径确定性方法计算气溶胶在气道中的沉积。在确定每个年龄组典型潮式呼吸时的区域沉积特征之前,先使用一组固定的受控呼吸模式为儿童提供区域沉积估计值。研究发现,沉积模式受吸入流速和空气动力学颗粒大小的影响很大。在固定呼吸模式下,男孩和女孩的吸入气溶胶沉积比例差异很小,年轻年龄组所有区域的沉积比例都较高。然而,当调整呼吸模式以代表每个年龄组的典型潮式呼吸时,各区域颗粒沉积分数的年龄差异变得可以忽略不计。此外,传导气道和外周气道的峰值沉积分数都出现在空气动力颗粒直径介于 2.4 至 2.6 μm 之间的狭窄范围内,这一尺寸范围小于成人。在固定时间的暴露过程中,与年龄有关的分钟通气量差异导致较大儿童胸内气道中沉积的气溶胶剂量较大。这种差异表明,要在这一年龄段达到可比剂量,大龄儿童吸入气溶胶的时间应更短。这些研究结果加深了人们对小儿气道内区域沉积情况的了解,有助于优化儿童的区域给药。
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引用次数: 0
Assessing the spatial transferability of calibration models across a low-cost sensors network 评估校准模型在低成本传感器网络中的空间可转移性
IF 3.9 3区 环境科学与生态学 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-07-20 DOI: 10.1016/j.jaerosci.2024.106437
Vasudev Malyan , Vikas Kumar , Mufaddal Moni , Manoranjan Sahu , Jai Prakash , Shruti Choudhary , Ramesh Raliya , Tandeep S. Chadha , Jiaxi Fang , Pratim Biswas

Low-cost sensor networks (LCSNs) are expanding worldwide to gather high spatiotemporal resolution data due to their economic feasibility and compact size. The reliability of LCS-recorded data is limited due to their calibration dependencies in the field. Previous studies have focused on the development of LCS calibration models by co-location with the regulatory monitoring stations. However, it is challenging to calibrate LCS in the field for countries with limited infrastructure for air quality monitoring, pointing towards the need for transferable calibration models. Only a few studies have addressed this challenge and provide no information on the factors that may affect the performance of transferable calibration models. Here, we examined the spatial transferability of the calibration models developed using machine learning (ML) algorithms for an LCSN with twenty-two (22) sites in NCT-Delhi. The site-specific calibration models performed well at each site with high R2 and significantly low RMSE values. These models were transferred to the other sites, and the effect of distance between the sites (D), source composition, PM ratios, and particle size distribution (PSD) on the transferability of calibration models was investigated. The models developed at the Mundka (S10) and Punjabi Bagh (S16) sites complied with the evaluation criterion (R2 ≥ 0.70) for each site, irrespective of the distance between the sites. Furthermore, PM ratios reported by the LCSs did not significantly differ across sites, suggesting that the PMS algorithm provides a proxy of the size-resolved mass fractions. Evaluation of the PSD at different sites supported our findings. We also introduced the concept of selecting representative locations for LCS co-location by computing transferability scores using k-means clustering and presented a reference map for NCT-Delhi for developing scalable calibration models.

低成本传感器网络(LCSN)因其经济可行性和体积小巧,正在全球范围内扩展,用于收集高时空分辨率数据。LCS 记录数据的可靠性因其在现场的校准依赖性而受到限制。以往的研究侧重于通过与监管监测站合用同一地点来开发 LCS 校准模型。然而,对于空气质量监测基础设施有限的国家来说,在现场校准 LCS 具有挑战性,因此需要可转移的校准模型。只有少数研究解决了这一难题,而且没有提供关于可能影响可转移校准模型性能的因素的信息。在此,我们对使用机器学习(ML)算法开发的校准模型的空间可转移性进行了研究,该模型适用于 NCT-Delhi 的 22 个站点的 LCSN。特定地点的校准模型在每个地点都表现良好,具有较高的 R 值和显著较低的 RMSE 值。这些模型被转移到其他站点,并研究了站点之间的距离(D)、源组成、可吸入颗粒物比率和粒径分布(PSD)对校准模型转移性的影响。在 Mundka(S10)和 Punjabi Bagh(S16)站点开发的模型符合每个站点的评估标准(R≥0.70),而与站点之间的距离无关。此外,LCS 报告的可吸入颗粒物比率在各站点之间并无显著差异,这表明 PMS 算法提供了粒度分辨质量分数的替代方法。对不同地点的 PSD 进行的评估支持了我们的发现。我们还引入了通过使用 k-means 聚类计算可转移性分数来为 LCS 共定位选择代表性地点的概念,并提出了用于开发可扩展校准模型的 NCT-Delhi 参考地图。
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引用次数: 0
Mucus, airway and plume temperature effects on pMDI-drug delivery in a mouth-throat airway: Experimental and numerical studies 粘液、气道和羽流温度对口-喉气道中 pMDI 给药的影响:实验和数值研究
IF 3.9 3区 环境科学与生态学 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-07-16 DOI: 10.1016/j.jaerosci.2024.106436
Mahsa Jahed, Janusz Kozinski, Leila Pakzad

Effective pulmonary drug delivery through pressurized-metered dose inhalers (pMDIs) depends on accurately targeting pharmaceutical aerosols to specific lung areas. Achieving this necessitates a comprehensive understanding of airflow dynamics in the airway and particle transport mechanisms.

In this study, a replica of the realistic geometry of the VCU medium-sized mouth-throat (MT) airway was fabricated by rapid prototyping (3D printing) to connect to a next-generation impactor (NGI) setup. The drug concentration deposited in the replica was measured at a constant flow rate of 30 L/min and room temperature using a high-performance liquid chromatography (HPLC) assay. This measurement validated our computational fluid dynamics (CFD) model for simulating particle transport under the same conditions. Large eddy simulation (LES) and discrete phase model (DPM) were employed to model the MT's airflow and particle transport. Using our CFD modeling, we focused on the effects of the temperature distribution of aerosol injection (plume), the influence of inlet air temperature, and the presence of the mucus layer on particle transport and deposition.

Our findings revealed that decreasing the plume temperature from 10 °C to −54 °C reduced deposition by approximately 15%, although increasing the average deposited particle sizes within the MT by about 34.5%. The airflow pattern, affected by different plume temperatures, was the prevalent parameter in particle MT deposition. In contrast, the effect of different air inlet temperatures on deposition was negligible. Additionally, incorporating mucus layer features in CFD modelling could further modify the inhaler's efficiency by up to 11%, depending on the specific conditions like diverse plume temperature (−54 °C–10 °C) and airflow temperature conditions (−15 °C–45 °C).

通过加压计量吸入器(pMDIs)进行有效的肺部给药取决于能否将药用气溶胶准确地送达特定的肺部区域。要实现这一目标,就必须全面了解气道中的气流动力学和微粒传输机制。在本研究中,通过快速原型(3D 打印)制作了一个 VCU 中型口-喉(MT)气道的逼真几何复制品,并将其连接到下一代冲击器(NGI)装置上。在 30 升/分钟的恒定流速和室温条件下,使用高效液相色谱法(HPLC)测定了沉积在复制品中的药物浓度。这一测量结果验证了我们在相同条件下模拟颗粒传输的计算流体动力学(CFD)模型。我们采用了大涡流模拟(LES)和离散相模型(DPM)来模拟 MT 的气流和颗粒传输。通过 CFD 建模,我们重点研究了气溶胶喷射(羽流)的温度分布、入口空气温度的影响以及粘液层的存在对颗粒传输和沉积的影响。我们的研究结果表明,将羽流温度从 10 °C 降低到 -54 °C,沉积量减少了约 15%,但 MT 内的平均沉积颗粒尺寸增加了约 34.5%。受不同羽流温度影响的气流模式是颗粒 MT 沉积的主要参数。相比之下,不同的进气温度对沉积的影响可以忽略不计。此外,根据不同的羽流温度(-54 ° C-10 ° C)和气流温度条件(-15 ° C-45 ° C)等具体条件,在 CFD 建模中加入粘液层特征可进一步改变吸入器的效率,最高可达 11%。
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引用次数: 0
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Journal of Aerosol Science
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