ACS Editors’ Choice: Machine Learning Force Fields and More!

machine learning force fields

This week: machine learning force fields, expediting combinatorial data set analysis, biomonitoring human albumin adducts — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
***
Influence of the Particle Concentration and Marangoni Flow on the Formation of Cellulose Nanocrystal Films

Langmuir, Article ASAP
DOI: 10.1021/acs.langmuir.6b03724
***
Machine Learning Force Fields: Construction, Validation, and Outlook

J. Phys. Chem. C, Article ASAP
DOI: 10.1021/acs.jpcc.6b10908
***
Inhibition of the Serotonin Transporter Is Altered by Metabolites of Selective Serotonin and Norepinephrine Reuptake Inhibitors and Represents a Caution to Acute or Chronic Treatment Paradigms

ACS Chem. Neurosci., Article ASAP
DOI: 10.1021/acschemneuro.6b00343
***
Introduction to the Colloidal Glass Transition

ACS Macro Lett., 2017, 6, pp 27–34
DOI: 10.1021/acsmacrolett.6b00826
***
Multifunctional Self-Adhesive Fibrous Layered Matrix (FiLM) for Tissue Glues and Therapeutic Carriers

Biomacromolecules, Article ASAP
DOI: 10.1021/acs.biomac.6b01413
***
Spinning of Cellulose Nanofibrils into Filaments: A Review

Ind. Eng. Chem. Res., Article ASAP
DOI: 10.1021/acs.iecr.6b04010
***
Enhanced Resolution of Chiral Amino Acids with Capillary Electrophoresis for Biosignature Detection in Extraterrestrial Samples

Anal. Chem., Article ASAP
DOI: 10.1021/acs.analchem.6b04338
***
Experimental and Modeling Investigation of the Effect of H2S Addition to Methane on the Ignition and Oxidation at High Pressures

Energy Fuels, Article ASAP
DOI: 10.1021/acs.energyfuels.6b02140
***
DNA Origami–Graphene Hybrid Nanopore for DNA Detection

ACS Appl. Mater. Interfaces, Article ASAP
DOI: 10.1021/acsami.6b11001
***
Expediting Combinatorial Data Set Analysis by Combining Human and Algorithmic Analysis

ACS Comb. Sci., Article ASAP
DOI: 10.1021/acscombsci.6b00151
***
Experimental Determination of Isotope Enrichment Factors – Bias from Mass Removal by Repetitive Sampling

Environ. Sci. Technol., Article ASAP
DOI: 10.1021/acs.est.6b03689
***
Poly(ethylene glycol) Crowding as Critical Factor To Determine pDNA Packaging Scheme into Polyplex Micelles for Enhanced Gene Expression

Biomacromolecules, Article ASAP
DOI: 10.1021/acs.biomac.6b01247
***
Biomonitoring Human Albumin Adducts: The Past, the Present, and the Future

Chem. Res. Toxicol., Article ASAP
DOI: 10.1021/acs.chemrestox.6b00366
***
Ultrarigid Indenyl-based Hafnocene Complexes for the Highly Isoselective Polymerization of Propene: Tunable Polymerization Performance Adopting Various Sterically Demanding 4-Aryl Substituents

Organometallics, Article ASAP
DOI: 10.1021/acs.organomet.6b00814
***
Love ACS Editors’ Choice? Get a weekly e-mail of the latest ACS Editor’s Choice articles and never miss a breakthrough!

If you have comments or questions for the author of this post, please e-mail: Axial@acs.org.