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Performance metrics to unleash the power of self-driving labs in chemistry and materials science

problem based on published studies alone. Determining what digital and physical features are germane to a specific study is a critical aspect of SDL design that needs to be approached quantitatively. Even ... field that offers incredible potential in improving the rate and scope of research in chemistry and materials science.1 SDLs are novel tools that incorporate automated experimental workflows (physical

The rise of data repositories in materials chemistry

the Biological Sciences. Unsurprisingly the repositories developed for materials chemistry (NOMAD and Materials Cloud) are referenced in the majority by the Chemical Sciences followed by Physical ... optimise resource use, fostering a robust foundation for future scientific progress. Here, the authors explore the use of FAIR practices to advance materials chemistry research, examining key repositories

Advances in green chemistry and engineering

greatly contribute to achieving sustainable development goals. To this end, many studies have been conducted to develop new approaches within green chemistry and engineering. The Advances in Green Chemistry ... and Engineering Collection at Scientific Reports aims at gathering the latest research on developing and implementing the principles of green chemistry and engineering. In the research areas of green

Nanofiltration Purification of Liquid Radioactive Waste

-level wastewater from the radiochemical building of the Institute of Physical Chemistry and Electrochemistry RAS (IPCE RAS) using the method of nanofiltration (NF) using a polymer membrane manufactured by ... related to radioactive waste. When using the method of nanofiltration for the treatment of low-level wastewater of the Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences

Using slisemap to interpret physical data

Manifold visualisation techniques are commonly used to visualise high-dimensional datasets in physical sciences. In this paper, we apply a recently introduced manifold visualisation method, slisemap ... /edahelsinki/paperslisemap-physical. In Sect. 4.1, we study a dataset from atmospheric science; in Sect. 4.2, a dataset from high energy physics, and in Sect. 4.3, a dataset about organic chemistry. Finally, in

Leveraging large language models for predictive chemistry

Machine learning has transformed many fields and has recently found applications in chemistry and materials science. The small datasets commonly found in chemistry sparked the development of ... ), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL) , Sion , Switzerland 1 Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller

Topical issue on dynamics and photodynamics: from isolated molecules to the condensed phase

and theoretical groups worldwide. This highly interdisciplinary field establishes extensive connections with atomic, molecular and optical physics, astrophysics, biophysics, physical chemistry, solid ... condensed phase environments. In parallel, high-level ab initio quantum chemistry methods have emerged as indispensable tools for unraveling the intricate structural, spectroscopical and dynamical properties

Reactive aldehyde chemistry explains the missing source of hydroxyl radicals

oxide and high volatile organic compound regimes even considering the latest isoprene chemistry. Here we propose that the reactive aldehyde chemistry, especially the autoxidation of carbonyl organic ... hydroperoxyl-carbonyls that generate OH through rapid photolysis. This chemistry could explain almost all unknown OH sources in areas rich in both natural and anthropogenic emissions in the warm seasons, and may

Cosmic dust fertilization of glacial prebiotic chemistry on early Earth

Earth’s surface is deficient in available forms of many elements considered limiting for prebiotic chemistry. In contrast, many extraterrestrial rocky objects are rich in these same elements ... School of Physical Sciences, Open University , Milton Keynes , UK 5 Department of Earth Sciences, University of Cambridge , Cambridge , UK. 6 Craig R. Walton 7 Martin D. Suttle Earth's surface is

Seawater physics and chemistry along the Med-SHIP transects in the Mediterranean Sea in 2016

-based Hydrographic Investigations Program (GO-SHIP). Med-SHIP consists of zonal and meridional surveys with different frequencies, where comprehensive physical and biogeochemical properties are measured ... funded by the EU project EUROFLEETS2. This paper presents the physical and chemical data of the meridional and key transects in the Western and Eastern Mediterranean Sea collected during those cruises

Topolectrical Circuit Correspondence Design of Polyacetylene

density functional theory calculations alongside with the calculations based on the physical chemistry formalisms are used. Here, we observed that the electronic response of the circuit is topologically ... separately and in detail. Experiment Equivalent experimental electrical circuit As we know, different physical systems show the same behavior if they are described by the same dynamic equations. Therefore

Operando probing of the surface chemistry during the Haber–Bosch process

, Germany 3 Institute of Physical Chemistry, Montan University Leoben , Leoben , Austria 4 Present address: Materials Science, ALBA Synchrotron Light Facility , Cerdanyola del Vallés , Spain 5 Present ... University Center , Stockholm , Sweden 1 Department of Materials and Environmental Chemistry, Stockholm University , Stockholm , Sweden 2 Photon Science, Deutsches Elektronen-Synchrotron DESY , Hamburg

Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential

expensive ab initio simulations. For this reason, chemistry and materials science would greatly benefit from a general reactive MLIP, that is, an MLIP that is applicable to a broad range of reactive chemistry ... 7 8 0 Department of Chemistry, Mellon College of Science, Carnegie Mellon University , Pittsburgh, PA , USA 1 Theoretical Division, Los Alamos National Laboratory , Los Alamos, NM , USA 2

Nanoscale silicate melt textures determine volcanic ash surface chemistry

particles with substantial differences in surface chemistry. We attribute this disparity to observations of nanoscale melt heterogeneities, in which Fe-rich nanophases in the magmatic melt deflect and blunt ... ash surface chemistry, an essential consideration for understanding the cascading consequences of reactive ash surfaces in various environments. - 1,2,8 2, The chemistry of ash particle surfaces

Bacterial accumulation in intestinal folds induced by physical and biological factors

microenvironment. We discovered that E. coli spread was considerably suppressed within the intestinal folds, leading to a strong physical accumulation in the folds. Moreover, a higher concentration of E. coli on the ... microfluidic experiments and theoretical analysis revealed that the overall distribution of E. coli in the intestines was established by a combination of physical factor and bacterial taxis. Conclusions Our

Unveiling the future of chemistry: the 2023 emerging investigator issue of Science China Chemistry

Department of Chemistry, Xiamen University. He received his Ph.D. degree in Physical Chemistry from Xiamen University in 2014 and a joint Ph.D. degree in Molecules and Condensed Materials from Lille University ... applications. Dr. Kaifeng Wu (吴凯丰) obtained his B.S. degree in materials physics from University of Science and Technology of China (2010) and his Ph. D. degree in physical chemistry from Emory University (2015

Chinese pre-service chemistry teachers’ perception of augmented reality-assisted secondary chemistry learning

This research aims to explore the functional characteristics of Augmented Reality (AR) supported teaching in secondary chemistry learning, based on the theoretical framework of AR research in science ... ' Own Smartphones . GSA Today , 4 - 10 . https://doi.org/10.1130/GSATG304A.1 Chen , Y. C. ( 2006a ). A study of comparing the use of augmented reality and physical models in chemistry education . In ACM

Effectiveness of physical therapy on physical activity and employment status in kidney transplant recipients in their sixties: a case report with literature review

Few reports have been published on preoperative and long-term postoperative rehabilitation after kidney transplantation. Poor physical function after kidney transplantation is associated with adverse ... Yamaguchi et al. Renal Replacement Therapy https://doi.org/10.1186/s41100-024-00538-y (2024) 10:22 Renal Replacement Therapy Open Access CASE REPORT Effectiveness of physical therapy on physical

Modulating pro-adhesive nature of metallic surfaces through a polypeptide coupling via diazonium chemistry

The design of biomaterials able to facilitate cell adhesion is critical in the field of tissue engineering. Precise control of surface chemistry at the material/tissue interface plays a major role in ... Department of Physical Chemistry and Technology of Polymers, Silesian University of Technology , M. Strzody 9, 44-100 Gliwice , Poland 1 Joint Doctoral School, Silesian University of Technology , Akademicka 2A

The effect of physical exercise during radiotherapy on physical performance in patients with head and neck cancer: a trial within cohorts study protocol, the vital study

During the last decade, twelve studies have been published investigating physical exercise interventions (PEIs) in patients with head and neck cancer (HNC) during radiotherapy (RT), chemoradiation ... compare physical performance, muscle strength, fatigue, quality of life (QoL), body mass index (BMI), nutritional status, physical activity, treatment tolerability, and health care related costs in patients