ABSTRACT
This manuscript investigates the efficient synthesis of copper zinc tin sulfide (CZTS) nanoparticles for CZTS thin film solar cell applications with a primary focus on environmental sustainability. Underpinning the investigation is an initial life-cycle assessment (LCA) analysis. This LCA analysis is conducted to evaluate the environmental impact of different synthesis volumes, providing crucial insights into the sustainability of the synthesis process by considering the flows of material and energy associated with the process. Life-cycle assessment results demonstrate that significant reductions to the environmental impact can be made by increasing the synthesis volume of CZTS nanoparticle ink. Using a 5-fold increase in volume can reduce all 11 investigated environmental impacts by up to 35.6%, six of these impacts demonstrating reductions >10% and the amount of global warming potential is reduced by 21.4%. Motivated by the LCA results, COMSOL simulations are employed to understand the fluid flow patterns in large-scale fabrication. Various sizes and speeds of stirrer bars are investigated in these simulations, and it is determined that a 50 mm stir bar at 200 rpm represents the optimal configuration for the synthesis process in a 500 mL flask. Subsequently, large-batch CZTS nanoparticle inks are synthesized using these parameters and compared to small-batch samples. The light absorbers are characterized using Raman spectroscopy and X-ray diffraction, confirming favorable properties with close-to-ideal elemental ratios in large-batch synthesis. Finally, solar cell devices fabricated utilizing CZTSSe absorbers from the large volume synthesis process demonstrate comparable performance to those fabricated using small-batch synthesis, with uniform power conversion efficiencies of around 5% across the substrate. This study highlights the potential of large-volume CZTS nanoparticle synthesis for efficient and environmentally friendly CZTS solar cell fabrication, contributing to the advancement of sustainable renewable energy technologies.
ABSTRACT
INTRODUCTION: Delta-9-tetraydrocannabinol (THC) usage is associated with venous thromboembolic events (VTE) in trauma patients. We hypothesized that THC â+ âtrauma patients would have less platelet inhibition than THC - patients using thromboelastography with platelet mapping (TEG-PM). METHODS: Results from initial TEG- PM assays and patient's UDS were reviewed between 2019 and 2023. Mean levels of arachidonic acid (AA) and adenosine diphosphate (ADP) percent inhibition were compared by THC status. RESULTS: 793 patients had TEG-PM and UDS data. Mean levels of arachidonic acid (AA) percentage inhibition were 32.6 â± â34.2. AA inhibition was lower for THC â+ âvs THC- patients (THC+ 23.9 â± â27.0 vs THC- 34.3 â± â35.3, P â< â0.001). There was no association between THC status and ADP inhibition (THC+ 32.5 â± â27.1 vs THC- 30.8 â± â28.4, P â= â0.536). DISCUSSION: To our knowledge, our data are the first to suggest a clinically measurable increase in platelet reactivity in THC â+ âtrauma patients. More work is needed to determine if addition of aspirin to the chemoprophylaxis strategy for THC â+ âpatients would mitigate the known association of THC with VTE.
ABSTRACT
During vaginal delivery, the delivery requires the fetal head to mold to accommodate the geometric constraints of the birth canal. Excessive molding can produce brain injuries and long-term sequelae. Understanding the loading of the fetal brain during the second stage of labor (fully dilated cervix, active pushing, and expulsion of fetus) could thus help predict the safety of the newborn during vaginal delivery. To this end, this study proposes a finite element model of the fetal head and maternal canal environment that is capable of predicting the stresses experienced by the fetal brain at the onset of the second phase of labor. Both fetal and maternal models were adapted from existing studies to represent the geometry of full-term pregnancy. Two fetal positions were compared: left-occiput-anterior and left-occiput-posterior. The results demonstrate that left-occiput-anterior position reduces the maternal tissue deformation, at the cost of higher stress in the fetal brain. In both cases, stress is concentrated underneath the sutures, though the location varies depending on the presentation. In summary, this study provides a patient-specific simulation platform for the study of vaginal delivery and its effect on both the fetal brain and maternal anatomy. Finally, it is suggested that such an approach has the potential to be used by obstetricians to support their decision-making processes through the simulation of various delivery scenarios.
Subject(s)
Brain , Finite Element Analysis , Labor Stage, Second , Humans , Female , Pregnancy , Brain/physiology , Brain/embryology , Labor Stage, Second/physiology , Fetus/physiology , Stress, Mechanical , Weight-Bearing , Biomechanical PhenomenaABSTRACT
Phenotypic assays have become an established approach to drug discovery. Greater disease relevance is often achieved through cellular models with increased complexity and more detailed readouts, such as gene expression or advanced imaging. However, the intricate nature and cost of these assays impose limitations on their screening capacity, often restricting screens to well-characterized small compound sets such as chemogenomics libraries. Here, we outline a cheminformatics approach to identify a small set of compounds with likely novel mechanisms of action (MoAs), expanding the MoA search space for throughput limited phenotypic assays. Our approach is based on mining existing large-scale, phenotypic high-throughput screening (HTS) data. It enables the identification of chemotypes that exhibit selectivity across multiple cell-based assays, which are characterized by persistent and broad structure activity relationships (SAR). We validate the effectiveness of our approach in broad cellular profiling assays (Cell Painting, DRUG-seq, and Promotor Signature Profiling) and chemical proteomics experiments. These experiments revealed that the compounds behave similarly to known chemogenetic libraries, but with a notable bias toward novel protein targets. To foster collaboration and advance research in this area, we have curated a public set of such compounds based on the PubChem BioAssay dataset and made it available for use by the scientific community.
Subject(s)
Drug Discovery , High-Throughput Screening Assays , Small Molecule Libraries , Drug Discovery/methods , High-Throughput Screening Assays/methods , Cheminformatics/methods , Small Molecule Libraries/chemistry , Structure-Activity RelationshipABSTRACT
PURPOSE: Blunt bowel and/or mesenteric injury requiring surgery presents a diagnostic challenge. Although computed tomography (CT) imaging is standard following blunt trauma, findings can be nonspecific. Most studies have focused on the diagnostic value of CT findings in identifying significant bowel and/or mesenteric injury (sBMI). Some studies have described scoring systems to assist with diagnosis. Little attention, has been given to radiologist interpretation of CT scans. This study compared the discriminative ability of scoring systems (BIPS and RAPTOR) with radiologist interpretation in identifying sBMI. METHODS: We conducted a retrospective chart review of trauma patients with suspected sBMI. CT images were reviewed in a blinded fashion to calculate BIPS and RAPTOR scores. Sensitivity and specificity were compared between BIPS, RAPTOR, and the admission CT report with respect to identifying sBMI. RESULTS: One hundred sixty-two patients were identified, 72 (44%) underwent laparotomy and 43 (26.5%) had sBMI. Sensitivity and specificity were: BIPS 49% and 87%, AUC 0.75 (0.67-0.81), P < 0.001; RAPTOR 46% and 82%, AUC 0.72 (0.64-0.79), P < 0.001; radiologist impression 81% and 71%, AUC 0.82(0.75-0.87), P < 0.001. The discriminative ability of the radiologist impression was higher than RAPTOR (P = 0.04) but not BIPS (P = 0.13). There was not a difference between RAPTOR vs. BIPS (P = 0.55). CONCLUSION: Radiologist interpretation of the admission CT scan was discriminative of sBMI. Although surgical vigilance, including evaluation of the CT images and patient, remains fundamental to early diagnosis, the radiologist's impression of the CT scan can be used in clinical practice to simplify the approach to patients with abdominal trauma.