Hundreds of microbial species inhabit the human gut and support digestion, immunity, and other functions. Changes in their populations have been linked to diabetes, asthma, cancers and many other diseases. But so far, the complexity of microbial communities has made them impractical targets for controlling disease. Now, researchers report that a small molecule can block a type of common gut bacteria from consuming starch, which slows their growth. The results could offer a way to manipulate the bacteria’s proportions in the gut microbiome—a strategy that could eventually help researchers understand the microbiome’s role in health.
So far, researchers have tried to tweak human and animal microbiomes with nutritional supplements, probiotic cocktails, or fecal transplants laden with microbes from other individuals. But small-molecule-based approaches have rarely been attempted: Common antimicrobial drugs wipe out a broad range of species, so they can’t be used to precisely edit a microbial community.
Organic chemist Daniel C. Whitehead and microbiologist Kristi Whitehead of Clemson University and their colleagues teamed up to find a more subtle approach that would manipulate selected members of the gut microbial community. The researchers homed in on Bacteroides, which represent more than half of the human gut microbiome and consume dietary starch and complex sugars. At least one study has shown that, compared to healthy individuals, patients with type 1 diabetes have a higher proportion of certain Bacteroides species in their gut microbiome before the onset of disease symptoms.
In the new study, the team looked at two species of Bacteroides whose starch utilization pathways had been particularly well characterized. With these strains, they tested three small molecules that inhibit human starch-digesting enzymes for their ability to act on bacterial enzymes. In laboratory cultures containing a variety of sugars, one of the molecules, acarbose, prevented Bacteroides species from consuming potato starch and fungal pullulan, a starch used as a common food additive. Acarbose did not kill the microbes or block them from digesting other sugars such as glucose.
On other sugar sources, the molecule had little impact on Bacteroides growth. But when the starch-derived polysaccharide pullulan or potato starch were the only foods provided, acarbose shut down the growth of Bacteroides. It did not affect Ruminococcus, another common gut inhabitant, even though this species also metabolizes starch.
In these initial experiments, the researchers tested the bacteria in individual, lab-grown cultures. Therefore, it remains to be seen whether the human gut microbiome will respond in the same way. “But the results show that the system is targetable, which itself is quite significant,” says organic chemist Herman O. Sintim of Purdue University, who was not involved with the study.
“In the gut, it’s unlikely that only starches are going to be present,” says Kristi Whitehead, but acarbose would give Bacteroides fewer carbohydrates to choose from on the bacterial buffet. “In that highly competitive environment, that should reduce their growth.”
The researchers plan to extend their experiments to mixed bacterial cultures and animal models. “This work is really a proof of concept that a small molecule can arrest the starch utilization system,” says Daniel Whitehead.
So far, it’s not clear whether changes to the gut microbiome cause illness or are merely correlated to disease conditions. For instance, when Bacteroides flourishes before the onset of type 1 diabetes, the bacterial bloom could result from underlying metabolic changes or cause them. Blocking a metabolic pathway such as starch digestion might help prevent that early proliferation, and could serve as “a tool to actually answer that question,” Sintim says.
Australia’s invasive cane toads are a scourge to native species, poisoning predators with toxic secretions. But now researchers have discovered that bacteria in the glands of adult cane toads transform these toxins into hydroxylated versions found in cane toad eggs and tadpoles. Manipulating this microbe-mediated toxin transformation could offer a new route for controlling the exploding cane toad population in Australia, the researchers say.
In 1935, about 100 cane toads (Rhinella marina) were released in sugar cane fields in northeastern Australia to control beetles eating the sugar cane. Today, an estimated 1.5 billion toads have spread thousands of miles across the continent, killing native species, to the brink of extinction in some cases. When predators munch on a cane toad, milky secretions full of a family of steroidal toxins called bufagenins ooze from the parotoid glands on the toad’s shoulders.
Microbes in the shoulder glands of cane toads hydroxylate marinobufagenin at the highlighted location, producing 11α-hydroxymarinobufagenin.
Robert J. Capon of the University of Queensland previously found that Gram-negative bacteria isolated from these glands could completely degrade bufagenins. The researchers wondered if other bacteria from the cane toad microbiome could also alter bufagenins, producing some of the types observed in cane toad eggs and tadpoles.
The researchers isolated three different strains of Gram-positive Bacillus species from the parotoid glands of two toads collected on campus. They fed the bacteria one of four different bufagenins produced by adult toads. After seven days, the researchers isolated compounds in the culture and found hydroxylated bufagenins. These derivatives are also found on cane toad eggs and tadpoles. In nature these modified toxins originate with the mother and are thought be modified in ways that protect the tadpoles and eggs in aquatic environments.
Capon speculates that a toad’s microbiome could hold clues to controlling the toad population. Inoculating the toads with other microbes that might change the bufagenin modifications as the adult females pass toxins to their eggs could be a helpful strategy, for example. “Would that reduce the viability of the eggs?” he wonders.
Microbial communities can be found everywhere on Earth, and the human body is no exception, Balskus says. There are microbes living on and inside of us. “If you count up the number of microbial cells associated with a person, you find we are just as much microbial as we are human.”
The colon is home to the most microbes found in the human body, and is one of the densest known microbial habitats on the planet, Balskus says. But while we all have microbiomes in our guts, the types of microbes inside us vary greatly. It is known that these organisms can influence energy balance and nutrition, help train the immune system, and provide protection from pathogens such as the bacteria Clostridium difficile (C. diff.). However, science has yet to determine exactly how they affect our bodies, and only 2% of the plasma metabolites influenced by gut microbes have been identified, Balskus says.
A great example of an identified compound and its effect on the body is trimethylamine (TMA), elevated levels of which are associated with trimethylaminuria, an inherited metabolic disorder known commonly as fish malodor syndrome. It is caused by a gene encoding mutation that causes enzymes to be unable to convert all of the TMA that the gut produces, Balskus says. Because there are no targeted treatments for the disease, patients will alter their own microbiomes with antibiotics or changes in their diets.
Balskus says work is being done to develop small molecules that can be manipulated, and targeted small molecule inhibitors could lead to more selective ways to study the microbiome. “We need better tools and approaches that will allow us to study chemistry directly in the microbial communities where it is taking place.”
Applying Technology to Link the Microbiome to Colon Cancer
One tool researchers are using to learn more about the human microbiome is XCMS, a metabolomic platform that allows for mass spectrometry and analysis. In his presentation, Siuzdak described how his team has used XCMS in examining colon cancer and how the microbiome can affect the disease’s progression.
Patients with tumors found on the cecum side, or right side, of the colon live about half as long as those with tumors on sigmoid side, or left side. Siuzdak and his team used mass spectrometry-based metabolomic analysis to examine tumor samples, working with Dr. David Elder at Karolinska Institutet, Dr. Cynthia Spears at Johns Hopkins University, and Dr. Laura Geotz at University of California, San Diego. Using XCMS, Siuzdak’s team was able to align the different liquid chromatology-mass spectrometry analyses of the metabolites in the different samples into a more coherent map. Being able to visualize and pull out the most interesting data was a huge help in the work, he explained.
They found that the cecum side tumors tend to have biofilm, or microorganisms that attach to each other, on them. Siuzdak said it is possible that the biofilms may be growing by feeding on polyamines, which are typically produced by tumors. The team also found that biofilms are penetrating the cells, which can stimulate cellular proliferation, which Siuzdak says indicates a “symbiotic relationship between the biofilm growth and the tumor growth.” While they still don’t know why the patients with cecum side tumors live for shorter amounts of time, they are a step closer to that discovery, and using XCMS to analyze the metabolomic data helped them get this far.
Want to learn more about the technology scientists are using to study microbiomes? You can watch a recording of the full webinar complete with Dr. Balskus and Dr. Siuzdak’s slides through August 15, 2017, just register here.
The scientific community is learning more about microorganisms and how they interact with each other in microbiomes. Technology is making their discoveries possible and more is needed to advance their research even further.
On August 11, 2016, ACS Nano and Analytical Chemistry presented Microbiome Technologies, the second in the three-part #ACSmicrobiome Webinar Series. The webinar focused on the current technology researchers are using to study the microbiome and the technology they will need moving forward. It featured Dr. Paul S. Weiss, Editor-in-Chief of ACS Nano; Distinguished Professor of Chemistry & Biochemistry, Distinguished Professor of Materials Science & Engineering, California NanoSystems Institute at the University of California, Los Angeles, and Dr. Pieter Dorrestein, Professor at the University of California, San Diego; Director of the Collaborative Mass Spectrometry Innovation Center; and a Co-Director of the Institute for Metabolomics Medicine in the Skaggs School of Pharmacy & Pharmaceutical Sciences, and Department of Pharmacology.
Technology is Essential to Understanding Microbiomes
Microbiomes are found all over – in and on human bodies, in the ocean, the atmosphere, and the soil. Research on microbiomes touch on many different disciplines, says Weiss, which can create gaps in the understanding of microbiomes from one area of research to another. To address this, “tremendous technologies need to be developed,” he said.
“One of the advantages of the field nanoscience and nanotechnology is that we’ve taught each other how to communicate across fields, and maybe even more than the technology has required,” Weiss said.
To learn more about microbiomes, scientists need the tools to observe, manipulate and measure on the nano level. This will lead to the development of specialized technology. Researchers studying the microbiomes of the ocean, which are strongly connected with local environments, are being aided by new miniaturized, ruggedized technology, Weiss says. The development of new tools, such as these, that manipulate the microbiome will lead to a better understanding of how these systems work.
Digitally Mapping the Human Microbiome
The National Institutes of Health Human Microbiome Project has found that the human body consists of 20,000 human genes and 2 million to 20 million microbial genes. These findings have redefined what it is to be human, Dorrestein says. Microbes are involved in the metabolism of foods and changing immune chemistries. They can determine your weight, or how attractive you are to mosquitoes. Microbes are “the ignored organ” of the human body, he says.
The scientific community has been able to determine what microbes are inside the body, and now the research is shifting to what they are doing to the body and how to take control of that, Dorrestein says.
Dorrestein has developed a three-dimensional (3D) mapping tool, called ili, with Dr. Theodore Alexandrov of the European Molecular Biology Laboratory. The tool allows you to map data, such as where samples are taken on a person’s body, on to a 3D model. This allows researchers to visualize mass spectrometry data, and from there, observe and analyze the data.
To analyze that data, a metabolomics analysis and knowledge capture platform, called Global Natural Products Social Molecular Networking (GNPS) was created. Dorrestein said it launched in August with roughly 13,000 users from 111 countries. The platform allows researchers to upload, store and analyze data, with a predictive computing element, as well. GNPS allows researchers to share and pool their data, which will hopefully allow researchers to crowdsource analysis.
Want to learn more about the technology scientists are using to study microbiomes? You can watch a recording of the full webinar complete with Dr. Weiss and Dr. Dorrestein’s slides through August 10, 2017, just register here.
Advances in technology and research methods have in recent years allowed scientists to more effectively study Earth’s oldest life forms – microorganisms. They’ve discovered almost all microorganisms exist not alone, but in communities commonly known as “the microbiome,” and that these communities interact with their environments in a variety of ways.
Before it reaches our taps, drinking water goes through a multi-step treatment process that includes primary disinfection through exposure to ozone and biofiltration, and secondary disinfection through exposure to chloramine, Raskin says. But the water we drink still ends up with between 106 and 108 bacterial cells per liter.
It’s impossible to remove all mycobacteria from drinking water, so water treatment efforts focus on removing pathogenic microbes – the microorganisms that can cause disease in humans, particularly people with compromised immune systems, Raskin says. Mycobacteria avium and Mycobacteria abscessus are two environmental, or naturally occurring, mycobacteria whose levels need to be monitored in public water systems, as they can cause disease, and have shown some resistance to disinfectants.
Raskin’s research team studied the tap water from a group of houses in Ann Arbor, Michigan. Seven of the houses were close to the water treatment plant, and eight were farther away from the facility. The water coming out of the taps close to the plant had less exposure to chloramine in the city’s water distribution system, as it had a shorter distance to travel through that system. The water that traveled farther through the system before reaching the tap had greater exposure to chloramine. They found bacterial and mycobacterial concentrations were higher in samples taken farther away from the water treatment plant, Raskin says.
“I think it’s critically important to study all kinds of microbial phenomena within the context of the complex drinking water microbiome, and that we not just want to do this in the lab, but want to go into the field, studying full-scale systems, because there is complexity that we cannot mimic in the lab,” she says.
The Microbiome of Wastewater Treatment Plants
Another element of the urban water cycle is wastewater treatment plants, which have their own unique microbiomes. These facilities can be hotspots for antibiotic resistance genes because their microbiomes are home to thousands of species, have a high biomass density, and bacteria input from the waste of thousands of people, Zhang says. Wastewater treatment facilities must ensure these ARGs are removed from the wastewater to prevent their spread.
Wastewater treatment plants must monitor levels of bacteria associated with bulking, which is activated sludge with poor settling and compaction characteristics, and foaming, Zhang says. Both bulking and foaming can lead to overflow and hinder a plant’s operations. He praised the advances made in metagenomics, which provide technicians with information about the bacterial makeup of the microbiome in a quick, quantitative, and qualitative way.
Large-scale DNA sequencing and metagenomics are important tools in studying the bacterial profiles of the microbiome at the genus level, Zhang says. And the technological advancements must continue. He calls for specific, customized databases that would allow for better analysis of the bacterial profiles of wastewater treatment plants. Among Zhang’s other predictions for new developments is that third-generation genomic sequencing will allow for longer sequences, which will make analysis more accurate.
Want to learn more about the microbiome of the urban water cycle? You can watch a recording of the full webinar complete with Dr. Raskin and Dr. Zhang’s slides through July 25, 2017, just register here.
The microbiome is a hot topic in the popular media and in labs around the world. Chemists, biochemists, and other scientists are continually making new discoveries about the microbiome and how it affects health and the environment.
1. Which area on the surface of the human body has been found to host the most diverse collection of microbes?
Behind the ear
On the forearm
In the bellybutton
In-between the toes
It’s no secret that the human body is made up largely of microbes – over 100 trillion by some estimates. By what ratio do microbes outnumber human cells in our bodies?
10 to 1
100 to 1
1,000 to 1
10,000 to 1
The human digestive tract is home to a majority of the microbes that make up the human microbiome. Roughly what percent of an individual’s microbiome can be found in their digestive tract?
A recent Dutch study concluded that individuals who engage in intimate kissing have a more similar oral microbiota composition compared with unrelated individuals. On average, how many bacteria did they find were transferred in a 10 second intimate kiss?
Which winner of the Nobel Prize in Medicine purposely ingested Heliobacter pylori in order to prove that stomach ulcers are caused by bacteria, not stress?
Harold zur Hausen
Which ACS journal is currently accepting papers for an upcoming Special Issue on the Microbiome?
ACS Infectious Diseases
Journal of Proteome Research
ACS Medicinal Chemistry
Think You Know the Human Microbiome?
ACS Infectious Diseases invites you to take this short, six question quiz to test your knowledge of some of the more interesting developments in research surrounding the human microbiome over the past 15 years. Go with your gut and see if you can get all six questions right! Take our quiz and find out!
Whether you’re researching the microbiome or not, it’s hard at work having an effect on your body and your health. Take this short ACS Infectious Diseases quiz and test your knowledge on the human microbiome then watch The Microbiome in Health and Disease, a webinar sponsored by ACS Infectious Diseases and Journal of Proteome Research to learn more.
Microorganisms are Earth’s oldest life forms and have come to inhabit virtually every location on the planet. Recent advances in technology have enabled researchers to dissect how microorganisms interact with their surroundings. These investigations reveal that microorganisms exist in complex communities commonly referred to as “the microbiome.”
These microbial communities have been found to be integral to many processes, including human and animal health, and environmental nutrient cycling. In light of our growing appreciation of the importance of the microbiome, ACS Publications began a three-part webinar series on July 26 exploring how chemists are studying this important topic.
If you missed the live webinar, you can watch the recording complete with Dr. Grostern, Dr. Raskin, and Dr. Zhang’s slides any time. Just register here anytime.
Part 2: Microbiome Technologies
This second webinar in the series, Microbiome Technologies, is sponsored by ACS Nano and Analytical Chemistry and will address the role of the microbiome as it pertains to technology. The extraordinary measurement and manipulation requirements of studying the microbiome open up great opportunities for chemists, nanoscientists, and other researchers. These broad needs include the ability to eavesdrop on chemical communications, conduct massive multimodal data science, and develop synthetic biology- and mass spectrometry-based tools to manipulate organisms and populations. This webinar will provide an overview of the function of these technologies and discuss challenges and areas for investigation in these technologies.
Describe the importance of microbiome technologies.
Identify challenges associated with these technologies.
Explain how to study these technologies using nanoscience, nanotechnology, and mass spectrometry.
Moderator: Laura Fernandez, Managing Editor of ACS Nano and Nano Letters
Pieter Dorrestein, Professor at the University of California, San Diego; Director of the Collaborative Mass Spectrometry Innovation Center; and a Co-Director of the Institute for Metabolomics Medicine in the Skaggs School of Pharmacy & Pharmaceutical Sciences, and Department of Pharmacology
Paul S. Weiss, Editor-in-Chief of ACS Nano; Distinguished Professor of Chemistry & Biochemistry, Distinguished Professor of Materials Science & Engineering, California NanoSystems Institute, University of California, Los Angeles
This third webinar in the series, The Microbiome in Health and Disease, is sponsored byACS Infectious Diseases and Journal of Proteome Research and will address the microbiome’s critical role in maintaining health and preventing disease. The gut’s microbiome plays an integral role not only in maintaining metabolism but also in providing a barrier against infectious disease. This webinar will offer an overview of the microbiome’s function in these aspects of human health and discuss in detail challenges to investigating the subject and various approaches to overcoming them. Attendees will learn about opportunities for chemists and chemical biologists in this research area.
The Microbiome: An ACS Infectious Diseases Special Issue
Dr. Balskus is also the Guest Editor for an upcoming special issue of ACS Infectious Diseases titled The Microbiome. The issue is scheduled for publication in 2017 and the journal is accepting manuscripts until Oct. 1, 2016.
ACS Earth and Space Chemistry welcomes contributions for an upcoming special issue devoted to “Chemical Interactions in the Plant-Atmosphere-Soil System.” The scope of this issue covers the plant-atmosphere-soil system with its associated microbiomes, which is best viewed as an integrated system, where phenotypic expression at the systems level is governed by chemical interactions at the subcellular level, i.e., interactions within plant or microbial cells, the intercellular level, i.e., cellular interactions within plants cells, between plants and microbes or between microbes, and the extracellular level, i.e., atmospheric interactions or interactions involving soil minerals or soil organic matter. Our ability to understand, predict, and ultimately control the function of plant-atmosphere-soil systems and their responses to environmental variables requires unraveling this complex network of chemical interactions.
Submission of both original research and review-type papers are encouraged. Interested researchers should plan to commit to a submission timeline on or before November 1, 2020, so that the journal can ensure timely publication of this special issue.
The Guest Editors welcome any pre-inquiries on manuscript concepts should questions arise about relevance against scope.
There are lots of different ways to look at the reach of an article. You can look at citations, Altmetric Attention Scores, awards, and more. One way to consider the influence of an article is just by looking at how many people chose to read it. To that end, we’ve compiled lists of the five most-read chemistry articles from each ACS Publications journal in May 2020, including research, reviews, perspectives, and editorial pieces. These lists were not chosen by the journal’s editors and should not be taken as a “best of” list, but as another perspective on where the chemistry community allocated their attention.
Click on your favorite journal below to see their most-read articles of the month.
Intramolecularly Cross-Linked Polymers: From Structure to Function with Applications as Artificial Antibodies and Artificial Enzymes Open Access through ACS Editors’ Choice DOI: 10.1021/acs.accounts.0c00178
Correlating Digestion-Driven Self-Assembly in Milk and Infant Formulas with Changes in Lipid Composition Open Access through ACS AuthorChoice DOI: 10.1021/acsabm.0c00131
Hypocrellin-Based Multifunctional Phototheranostic Agent for NIR-Triggered Targeted Chemo/Photodynamic/Photothermal Synergistic Therapy against Glioblastoma Open Access through ACS Editors’ Choice DOI: 10.1021/acsabm.0c00386
Decoupling the Amplitude and Wavelength of Anisotropic Topography and the Influence on Osteogenic Differentiation of Mesenchymal Stem Cells Using a High-Throughput Screening Approach Open Access through ACS AuthorChoice DOI: 10.1021/acsabm.0c00330
Operando Transmission Electron Microscopy Study of All-Solid-State Battery Interface: Redistribution of Lithium among Interconnected Particles Open Access through ACS AuthorChoice DOI: 10.1021/acsaem.0c00543
Rapid Scalable Processing of Tin Oxide Transport Layers for Perovskite Solar Cells Open Access through ACS AuthorChoice DOI: 10.1021/acsaem.0c00525
Capacity Improvement by Nitrogen Doping to Lithium-Rich Cathode Materials with Stabilization Effect of Oxide Ions Redox DOI: 10.1021/acsaem.0c00564
Solution-Processed, Large-Area, Two-Dimensional Crystals of Organic Semiconductors for Field-Effect Transistors and Phototransistors Open Access through ACS AuthorChoice DOI: 10.1021/acscentsci.0c00251
Peptide Probes for Plasmodium falciparum MyoA Tail Interacting Protein (MTIP): Exploring the Druggability of the Malaria Parasite Motor Complex Open Access through ACS AuthorChoice DOI: 10.1021/acschembio.0c00328
Getting Back to the Lab during COVID-19: Careful planning and lots of distancing are critical for R&D labs that have stayed open and those looking to restart Open Access through ACS AuthorChoice DOI: 10.1021/acs.chas.0c00056
Ten Years after the Texas Tech Accident. Part II: Changing Safety Cultures and the Current State of Academic Laboratory Safety at Texas Tech University DOI: 10.1021/acs.chas.0c00047
Expression of the SARS-CoV-2 Entry Proteins, ACE2 and TMPRSS2, in Cells of the Olfactory Epithelium: Identification of Cell Types and Trends with Age Open Access through ACS AuthorChoice DOI: 10.1021/acschemneuro.0c00210
Cobalt Colloid-derived Efficient and Durable Nanoscale Electrocatalytic Films for High-Activity Water Oxidation Open Access through ACS AuthorChoice DOI: 10.1021/acsomega.9b03576
Rapid Detection of IgM Antibodies against the SARS-CoV-2 Virus via Colloidal Gold Nanoparticle-Based Lateral-Flow Assay Open Access through ACS AuthorChoice DOI: 10.1021/acsomega.0c01554
Carbazole/Benzimidazole-Based Bipolar Molecules as the Hosts for Phosphorescent and Thermally Activated Delayed Fluorescence Emitters for Efficient OLEDs Open Access through ACS AuthorChoice DOI: 10.1021/acsomega.0c00967
Mechanistic Insights into Zika Virus NS3 Helicase Inhibition by Epigallocatechin-3-Gallate Open Access through ACS AuthorChoice DOI: 10.1021/acsomega.0c01353
Functionalization of Nitrogen-Doped Carbon Nanofibers with Polyamidoamine Dendrimer as a Freestanding Electrode with High Sulfur Loading for Lithium–Polysulfides Batteries DOI: 10.1021/acssuschemeng.0c00300
Methanol-Based Chain Elongation with Acetate to n-Butyrate and Isobutyrate at Varying Selectivities Dependent on pH Open Access through ACS AuthorChoice DOI: 10.1021/acssuschemeng.0c00907
Efficient and Easily Reusable Metal-Free Heterogeneous Catalyst Beads for the Conversion of CO2 into Cyclic Carbonates in the Presence of Water as Hydrogen-Bond Donor Open Access through ACS AuthorChoice DOI: 10.1021/acssuschemeng.0c02265
Ensemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches DOI: 10.1021/acs.chemrestox.0c00030
Water and Metal–Organic Frameworks: From Interaction toward Utilization Open Access Through ACS AuthorChoice This article is part of the Porous Framework Chemistry special issue. DOI: 10.1021/acs.chemrev.9b00746
Bioprinting: From Tissue and Organ Development to in Vitro Models Open Access Through ACS AuthorChoice This article is part of the 3D Printing for Biomaterials special issue. DOI: 10.1021/acs.chemrev.9b00789
Exotic Electrophiles in Chlorinated and Chloraminated Water: When Conventional Kinetic Models and Reaction Pathways Fall Short Open Access Through ACS Editors’ Choice DOI: 10.1021/acs.estlett.0c00259
Substantial Changes in Nitrogen Dioxide and Ozone after Excluding Meteorological Impacts during the COVID-19 Outbreak in Mainland China Open Access Through ACS AuthorChoice DOI: 10.1021/acs.estlett.0c00304
Presence of SARS-Coronavirus-2 RNA in Sewage and Correlation with Reported COVID-19 Prevalence in the Early Stage of the Epidemic in The Netherlands Open Access Through ACS AuthorChoice DOI: 10.1021/acs.estlett.0c00357
μ-MIP: Molecularly Imprinted Polymer-Modified Microelectrodes for the Ultrasensitive Quantification of GenX (HFPO-DA) in River Water Open Access Through ACS Editors’ Choice DOI: 10.1021/acs.estlett.0c00341
Novel Adsorption Process for Co-Production of Hydrogen and CO2 from a Multicomponent Stream—Part 2: Application to Steam Methane Reforming and Autothermal Reforming Gases Open Access Through ACS AuthorChoice DOI: 10.1021/acs.iecr.9b06953
Electro-Enhanced Membrane Sorption: A New Approach for Selective Ion Separation and Its Application to Phosphate and Arsenic Removal DOI: 10.1021/acs.iecr.0c01498
Enhanced Water Dispersibility of Discrete Chalcogenide Nanoclusters with a Sodalite-Net Loose-Packing Pattern in a Crystal Lattice Open Access Through ACS Editors’ Choice DOI: 10.1021/acs.inorgchem.0c00621
Ruthenium 4d-to-2p X-ray Emission Spectroscopy: A Simultaneous Probe of the Metal and the Bound Ligands Open Access Through ACS AuthorChoice DOI: 10.1021/acs.inorgchem.0c00663
Hepatic Lipidomics Analysis Reveals the Antiobesity and Cholesterol-Lowering Effects of Tangeretin in High-Fat Diet-Fed Rats DOI: 10.1021/acs.jafc.0c01778
Protective Mechanism of Common Buckwheat (Fagopyrum esculentum Moench.) against Nonalcoholic Fatty Liver Disease Associated with Dyslipidemia in Mice Fed a High-Fat and High-Cholesterol Diet DOI: 10.1021/acs.jafc.9b08211
Journal of Chemical & Engineering Data
Nuclear Magnetic Resonance (NMR) Spectroscopy for the In Situ Measurement of Vapor–Liquid Equilibria Open Access Through ACS AuthorChoice This article is part of the Nontraditional Techniques for Measurement of Phase Equilibria special issue. DOI: 10.1021/acs.jced.0c00113
Isobaric Vapor–Liquid Equilibria for Binary Mixtures of Biomass-Derived γ-Valerolactone + Tetrahydrofuran and 2-Methyltetrahydrofuran Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jced.0c00084
Heat of Adsorption: A Comparative Study between the Experimental Determination and Theoretical Models Using the System CH4-MOFs DOI: 10.1021/acs.jced.0c00159
Development of Multivalent Metal-Ion-Fabricated Fumaric Acid-Based Metal–Organic Frameworks for Defluoridation of Water DOI: 10.1021/acs.jced.0c00005
Writing the 2019 ACS Exam for Chemical Health and Safety This article is part of the Chemical Safety Education: Methods, Culture, and Green Chemistry special issue. DOI: 10.1021/acs.jchemed.0c00124
Development of a Large-Enrollment Course-Based Research Experience in an Undergraduate Organic Chemistry Laboratory: Structure–Function Relationships in Pyrylium Photoredox Catalysts DOI: 10.1021/acs.jchemed.9b00786
Journal of Chemical Information and Modeling
Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jcim.0c00161
ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral Bioavailability DOI: 10.1021/acs.jcim.0c00019
Loop Grafting between Similar Local Environments for Fc-Silent Antibodies Open Access Through ACS AuthorChoice This article is part of the Novel Directions in Free Energy Methods and Applications special issue. DOI: 10.1021/acs.jcim.9b01198
Journal of Chemical Theory and Computation
Determining Free-Energy Differences Through Variationally Derived Intermediates Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jctc.0c00106
Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced Kriging Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jctc.0c00257
Coarse-Grained Molecular Model for the Glycosylphosphatidylinositol Anchor with and without Protein Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jctc.0c00056
Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jctc.0c00214
Relative and Quantitative Phosphoproteome Analysis of Macrophages in Response to Infection by Virulent and Avirulent Mycobacteria Reveals a Distinct Role of the Cytosolic RNA Sensor RIG-I in Mycobacterium tuberculosis Pathogenesis DOI: 10.1021/acs.jproteome.9b00895
Precise Control of Molecular Weight and Stereospecificity in Lewis Pair Polymerization of Semifluorinated Methacrylates: Mechanistic Studies and Stereocomplex Formation DOI: 10.1021/acs.macromol.0c00553
Emerging Biomolecular Testing to Assess the Risk of Mortality from COVID-19 Infection Open Access Through ACS AuthorChoice This article is part of the Nanomedicines Beyond Cancer special issue. DOI: 10.1021/acs.molpharmaceut.0c00371
Ring-Current Maps for Benzenoids: Comparisons, Contradictions, and a Versatile Combinatorial Model Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jpca.0c02748
Correlation of Photoluminescence and Structural Morphologies at the Individual Nanoparticle Level Open Access Through ACS AuthorChoice This article is part of the Time-Resolved Microscopy virtual special issue. DOI: 10.1021/acs.jpca.0c02340
Highly Conjugated, Fused-Ring, Quadrupolar Organic Chromophores with Large Two-Photon Absorption Cross-Sections in the Near-Infrared DOI: 10.1021/acs.jpca.0c02572
The Journal of Physical Chemistry B
Theoretical Insights into the Excited State Decays of a Donor–Acceptor Dyad: Is the Twisted and Rehybridized Intramolecular Charge-Transfer State Involved? DOI: 10.1021/acs.jpcb.0c02455
Universal and Nonuniversal Aspects of Electrostatics in Aqueous Nanoconfinement Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jpcb.0c01967
Remarkable Levels of 15N Polarization Delivered through SABRE into Unlabeled Pyridine, Pyrazine, or Metronidazole Enable Single Scan NMR Quantification at the mM Level Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jpcb.0c02583
In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2’s Main Protease Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jpclett.0c00994
Novel Coronavirus Polymerase and Nucleotidyl-transferase Structures: Potential to Target New Outbreaks Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jpclett.0c00571
Resolving Spectral Mismatch Errors for Perovskite Solar Cells in Commercial Class AAA Solar Simulators Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jpclett.0c00355
Combining Graphics Processing Units, Simplified Time-Dependent Density Functional Theory, and Finite-Difference Couplings to Accelerate Nonadiabatic Molecular Dynamics Open Access Through ACS AuthorChoice DOI: 10.1021/acs.jpclett.0c00320
There are lots of different ways to look at the reach of an article. You can look at citations, Altmetric Attention Scores, awards, and more. One way to consider the influence of an article is just by looking at how many people chose to read it. To that end, we’ve compiled lists of the five most-read chemistry articles from each ACS Publications journal in April 2020, including research, reviews, perspectives, and editorial pieces. These lists were not chosen by the journal’s editors and should not be taken as a “best of” list, but as another perspective on where the chemistry community allocated their attention.
Click on your favorite journal below to see their most-read articles of the month.
Ranking Plasticizers for Polymers with Atomistic Simulations: PVT, Mechanical Properties, and the Role of Hydrogen Bonding in Thermoplastic Starch Open Access Through ACS AuthorChoice DOI: 10.1021/acsapm.0c00191
Artificial Cell-Penetrating Peptide Containing Periodic α-Aminoisobutyric Acid with Long-Term Internalization Efficiency in Human and Plant Cells Open Access Through ACS AuthorChoice DOI: 10.1021/acsbiomaterials.0c00182
Rolling Circle Amplification-Based Polyvalent Molecular Beacon Probe-Assisted Signal Amplification Strategies for Sensitive Detection of B16 Cells DOI: 10.1021/acsbiomaterials.0c00288
Letter to the Editor Regarding the Viewpoint “Evidence of the COVID-19 Virus Targeting the CNS: Tissue Distribution, Host–Virus Interaction, and Proposed Neurotropic Mechanism” Open Access Through ACS AuthorChoice DOI: 10.1021/acschemneuro.0c00174
Aerosol Filtration Efficiency of Common Fabrics Used in Respiratory Cloth Masks Open Access Through ACS AuthorChoice DOI: 10.1021/acsnano.0c03252
Dual-Functional Plasmonic Photothermal Biosensors for Highly Accurate Severe Acute Respiratory Syndrome Coronavirus 2 Detection Open Access Through ACS AuthorChoice DOI: 10.1021/acsnano.0c02439
Rapid Detection of COVID-19 Causative Virus (SARS-CoV-2) in Human Nasopharyngeal Swab Specimens Using Field-Effect Transistor-Based Biosensor Open Access Through ACS AuthorChoice DOI: 10.1021/acsnano.0c02823
Spatial Distribution Profiles of Emtricitabine, Tenofovir, Efavirenz, and Rilpivirine in Murine Tissues Following In Vivo Dosing Correlate with Their Safety Profiles in Humans DOI: 10.1021/acsptsci.0c00015
Dual-Mode of Fluorescence Turn-On and Wavelength-Shift for Methylamine Gas Sensing Based on Space-Confined Growth of Methylammonium Lead Tribromide Perovskite Nanocrystals DOI: 10.1021/acs.analchem.0c00698
Why Are Lopinavir and Ritonavir Effective against the Newly Emerged Coronavirus 2019? Atomistic Insights into the Inhibitory Mechanisms Open Access Through ACS AuthorChoice DOI: 10.1021/acs.biochem.0c00160
Binding and Metabolism of Brominated Flame Retardant β-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane in Human Microsomal P450 Enzymes: Insights from Computational Studies DOI: 10.1021/acs.chemrestox.0c00076
Response to “Particle Size Is a Primary Determinant for Sigmoidal Kinetics of Nanoparticle Formation: A “Disproof” of the Finke–Watzky (F-W) Nanoparticle Nucleation and Growth Mechanism” DOI: 10.1021/acs.chemmater.0c00780
Mineral Interfaces and Oil Recovery: A Microscopic View on Surface Reconstruction, Organic Modification, and Wettability Alteration of Carbonates DOI: 10.1021/acs.energyfuels.0c00118
Environmental Science & Technology
Letter to the Editor Regarding: “An Imperative Need for Research on the Role of Environmental Factors in Transmission of Novel Coronavirus (COVID-19)” —Secondhand and Thirdhand Smoke As Potential Sources of COVID-19 DOI: 10.1021/acs.est.0c02041
Letter to the Editor: Wastewater-Based Epidemiology Can Overcome Representativeness and Stigma Issues Related to COVID-19 Open Access through ACS AuthorChoice DOI: 10.1021/acs.est.0c02172
Vapor–Liquid Equilibrium of Ionic Liquid 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-enium Acetate and Its Mixtures with Water Open Access through ACS AuthorChoice DOI: 10.1021/acs.jced.9b01039
Application of GaInSn Liquid Metal Alloy Replacing Mercury in a Phase Equilibrium Cell: Vapor Pressures of Toluene, Hexylbenzene, and 2-Ethylnaphthalene Open Access through ACS AuthorChoice DOI: 10.1021/acs.jced.9b01208
Dissociation Constant (pKa) and Thermodynamic Properties of 1,4-Bis(3-aminopropyl) Piperazine, 1,3-Bis(aminomethyl) Cyclohexane, Tris(2-aminoethyl) Amine, and 1-Amino-4-methyl Piperazine: Study of the Protonation Mechanism Using the Density Function Theory DOI: 10.1021/acs.jced.9b00702
Exploring Everyday Chemistry: The Effectiveness of an Organic Chemistry Massive Open Online Course as an Education and Outreach Tool Open Access through ACS AuthorChoice DOI: 10.1021/acs.jchemed.9b01151
Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields Open Access through ACS AuthorChoice DOI: 10.1021/acs.jctc.0c00126
The ONIOM/PMM Model for Effective Yet Accurate Simulation of Optical and Chiroptical Spectra in Solution: Camphorquinone in Methanol as a Case Study Open Access through ACS AuthorChoice DOI: 10.1021/acs.jctc.0c00124
Journal of Medicinal Chemistry
Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer Open Access through ACS AuthorChoice DOI: 10.1021/acs.jmedchem.9b02052
Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders Open Access through ACS AuthorChoice DOI: 10.1021/acs.jmedchem.9b02076
Comprehensive Examination of the Mouse Lung Metabolome Following Mycobacterium tuberculosis Infection Using a Multiplatform Mass Spectrometry Approach Open Access through ACS AuthorChoice DOI: 10.1021/acs.jproteome.9b00868
Safety Case Study. Intrinsic Instability of Concentrated Solutions of Alcoholic Hydrogen Chloride: Potential Hazards Associated with Methanol Open Access through ACS Editors’ Choice DOI: 10.1021/acs.oprd.0c00034
Chemical States of Water Molecules Distributed Inside a Proton Exchange Membrane of a Running Fuel Cell Studied by Operando Coherent Anti-Stokes Raman Scattering Spectroscopy Open Access through ACS AuthorChoice DOI: 10.1021/acs.jpcc.0c00347
The Journal of Physical Chemistry Letters
Pb-Based Perovskite Solar Cells and the Underlying Pollution behind Clean Energy: Dynamic Leaching of Toxic Substances from Discarded Perovskite Solar Cells Open Access through ACS Editors’ Choice DOI: 10.1021/acs.jpclett.0c00503
Excited State Dynamics of Thermally Activated Delayed Fluorescence from an Excited State Intramolecular Proton Transfer System Open Access through ACS AuthorChoice DOI: 10.1021/acs.jpclett.0c00498