Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery. The promise of this field has given rise to a rich ...community of passionate scientists, engineers, and social scientists, as evidenced by the development of the Acceleration Consortium and recent Accelerate Conference. Despite its strengths, this rapidly developing field presents numerous opportunities for growth, challenges to overcome, and potential risks of which to remain aware. This community perspective builds on a discourse instantiated during the first Accelerate Conference, and looks to the future of self-driving labs with a tempered optimism. Incorporating input from academia, government, and industry, we briefly describe the current status of self-driving labs, then turn our attention to barriers, opportunities, and a vision for what is possible. Our field is delivering solutions in technology and infrastructure, artificial intelligence and knowledge generation, and education and workforce development. In the spirit of community, we intend for this work to foster discussion and drive best practices as our field grows.
Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery.
Low-temperature electrolytes (LTEs) have been considered as one of the most challenging aspects for the wide adoption of lithium-ion batteries (LIBs) since the SOA electrolytes cannot sufficiently ...support the redox reactions at LT resulting in dramatic performance degradation. Although many attempts have been taken by employing various noncarbonate solvent electrolytes, there was a lack of fundamental understanding of the limiting factors for low-temperature operations (e.g., −20 to −40 °C). In this paper, the crucial role of the solid–electrolyte-interface (SEI) in LIB performance at low temperature using a butyronitrile (BN)-based electrolyte was demonstrated. These results suggested that an additive formed SEI with low resistance and low charge transfer dictates the LT performance in terms of capacity and cycle life, presenting a useful guideline in designing new electrolytes to address the LT issue.
Nonaqueous carbonate electrolytes are commonly used in commercial lithium‐ion battery (LIB). However, the sluggish Li+ diffusivity and high interfacial charge transfer resistance at low temperature ...(LT) limit their wide adoption among geographical areas with high latitudes and altitudes. Herein, a rational design of new electrolytes is demonstrated, which can significantly improve the low temperature performance below −20 °C. This electrolyte is achieved by tailoring the chemical structure, i.e., altering the fluorination position and the degree of fluorination, of ethyl acetate solvent. It is found that fluorination adjacent to the carbonyl group or high degree of fluorination leads to a stronger electron‐withdrawing effect, resulting in low atomic charge on the carbonyl oxygen solvating sites, and thus low binding energies with Li+ ions at LT. The optimal electrolyte 2,2,2‐trifluoroethyl acetate (EA‐f) shows significantly improved cycle life and C‐rate of a NMC622/graphite cell when cycled at −20 °C and −40 °C, respectively. In addition to superior LT performance, the electrolyte is nonflammable and tolerant for high voltage charging all owing to its fluorine content. This work provides guidance in designing next‐generation electrolytes to address the critical challenge at subzero temperatures.
A rational design of electrolytes for low temperature lithium‐ion batteries is presented. Fluorination adjacent to the carbonyl, or high degree of fluorination in ethyl acetate leads to stronger electron‐withdrawing effects, resulting in low atomic charge on the carbonyl oxygen solvating sites, and thus low binding energies with Li+ ions. NMC622/graphite cells using 2,2,2‐trifluoroethyl acetate show significantly improved low temperature performance.
Low-temperature electrolytes (LTEs) have been considered as one of the most challenging aspects for the wide adoption of lithium-ion batteries (LIBs) since the SOA electrolytes cannot sufficiently ...support the redox reactions at LT resulting in dramatic performance degradation. Although many attempts have been taken by employing various noncarbonate solvent electrolytes, there was a lack of fundamental understanding of the limiting factors for low-temperature operations (e.g., -20 to -40 degrees C). Here, the crucial role of the solid-electrolyte-interface (SEI) in LIB performance at low temperature using a butyronitrile (BN)-based electrolyte was demonstrated. These results suggested that an additive formed SEI with low resistance and low charge transfer dictates the LT performance in terms of capacity and cycle life, presenting a useful guideline in designing new electrolytes to address the LT issue.
Abstract
Objective
Low back pain is the leading cause of worldwide disability, with lumbosacral radiculopathy accounting for over one-third of these cases. There are limited data on the relationship ...between etiologies and lumbosacral radiculopathy, and it is unknown whether specific causes predict treatment outcomes.
Design, Setting, and Subjects
This study explores patient-reported etiologies for lumbosacral radiculopathy in a chronic pain clinic between January 2007 and December 2015 and examines whether these causes affected epidural steroid injection outcomes.
Methods
We reviewed the medical records of 1,242 patients with lumbosacral radiculopathy who received epidural steroid injections. The recording of an inciting event was done contemporaneously based on note templates. A positive outcome following an epidural steroid injection was defined as ≥30% pain relief sustained for six or more weeks without additional intervention. Factors associated with epidural steroid injection outcome were analyzed by multivariable logistic regression.
Results
Fifty point seven percent reported an inciting event, and 59.9% of patients experienced a positive epidural steroid injection outcome. The most commonly reported causes were falls (13.1%), motor vehicle collisions (10.7%), and lifting (7.8%). Individuals with a herniated disc (56.3%) were more likely to report a precipitating cause than those with stenosis (44.7%) or degenerative discs (47.8%, P = 0.012). An inciting event did not predict treatment outcome. Factors associated with negative treatment outcome included opioid consumption (odds ratio OR = 0.61, 95% confidence interval CI = 0.39–0.95, P = 0.027), secondary gain (OR = 0.69, 95% CI = 0.50–0.96, P = 0.030), and baseline pain score (OR = 0.90, 95% CI = 0.84–0.97, P = 0.006). The number of levels injected was associated with a positive outcome (OR = 2.72, 95% CI = 1.28–6.47, P = 0.008).
Conclusions
Reported inciting events are common in patients with lumbosacral radiculopathy but are not associated with outcome following epidural steroid injection, and their occurrence is not always consistent with the purported mechanism of injury.
Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery. The promise of this field has given rise to a rich ...community of passionate scientists, engineers, and social scientists, as evidenced by the development of the Acceleration Consortium and recent Accelerate Conference. Despite its strengths, this rapidly developing field presents numerous opportunities for growth, challenges to overcome, and potential risks of which to remain aware. This community perspective builds on a discourse instantiated during the first Accelerate Conference, and looks to the future of self-driving labs with a tempered optimism. Incorporating input from academia, government, and industry, we briefly describe the current status of self-driving labs, then turn our attention to barriers, opportunities, and a vision for what is possible. Our field is delivering solutions in technology and infrastructure, artificial intelligence and knowledge generation, and education and workforce development. In the spirit of community, we intend for this work to foster discussion and drive best practices as our field grows.
Crystal Toolkit is an open source tool for viewing, analyzing and transforming crystal structures, molecules and other common forms of materials science data in an interactive way. It is intended to ...help beginners rapidly develop web-based apps to explore their own data or to help developers make their research algorithms accessible to a broader audience of scientists who might not have any training in computer programming and who would benefit from graphical interfaces. Crystal Toolkit comes with a library of ready-made components that can be assembled to make complex web apps: simulation of powder and single crystalline diffraction patterns, convex hull phase diagrams, Pourbaix diagrams, electronic band structures, analysis of local chemical environments and symmetry, and more. Crystal Toolkit is now powering the Materials Project website frontend, providing user-friendly access to its database of computed materials properties. In the future, it is hoped that new visualizations might be prototyped using Crystal Toolkit to help explore new forms of data being generated by the materials science community, and that this in turn can help new materials scientists develop intuition for how their data behaves and the insights that might be found within. Crystal Toolkit will remain a work-in-progress and is open to contributions from the community.
