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Publisher Correction: Controlling an organic synthesis robot with machine learning to search for new reactivity
Publisher Correction: Controlling an organic synthesis robot with machine learning to search for new reactivity, Published online: 24 July 2018; doi:10.1038/s41586-018-0412-8Publisher Correction: Controlling an organic synthesis robot with machine learning to search for new reactivity
Source: Nature AOP - July 24, 2018 Category: Research Authors: Jaros ław M. Granda Liva Donina Vincenza Dragone De-Liang Long Leroy Cronin Source Type: research
Global Minimum Search and Bonding Analysis of Tl2Hx and Tl3Hy (x=0-6; y=0-5) Series
Chemphyschem. 2023 Jun 2:e202300332. doi: 10.1002/cphc.202300332. Online ahead of print.ABSTRACTA remarkable comparison of Boron and Carbon hydrides can be expressed in extremely different bonding patterns and chemical reactivity, which ultimately leads to different areas of applications. Particularly, Carbon, based on classical two-center - two-electron bonds, gives rise to organic chemistry. Oppositely, Boron produces many exotic and somewhat non-intuitive compounds collectively called non-classical structures. It's natural to expect other elements of Group 13 to possess their own unusual bonding patterns; however, our k...
Source: Chemphyschem - June 2, 2023 Category: Chemistry Authors: Anton S Pozdeev Pavel Rublev Alexander I Boldyrev Yi Rao Source Type: research
Identification of novel non-ionic, cationic, zwitterionic, and anionic polyfluoroalkyl substances using UPLC-TOF-MS(E) high-resolution parent ion search.
This study presents a time-of-flight mass spectrometry approach based on continuously interleaving scans at low and high collision energies (ToF-MS(E)) for the rapid identification and characterization of unknown PFASs. The MS(E) mode allowed for the simultaneous acquisition of full-spectrum accurate mass data of both parent and fragment ions in a single chromatographic run. Specific to PFASs, the hypothesis that PFASs can be selectively detected by the ToF-MS(E) high-resolution parent-ion search (HRPIS) of their characteristic fragments was confirmed with certified standards of 24 poly- and per-PFAS. After being validated...
Source: Analytica Chimica Acta - September 18, 2017 Category: Chemistry Authors: Xiao F, Golovko SA, Golovko MY Tags: Anal Chim Acta Source Type: research
Prebiotic Chemistry of HCN Tetramerization by Automated Reaction Search.
We report an explorative study based on automated reaction search method that avoid the cognitive bias in searching the chemical reaction space. We have discussed the chemical space of HCN dimer elaborately, and the important trimers and tetramers are discussed briefly. A component wise molecular fingerprint based methodology is proposed for identifying molecular similarity. Overall, we present four different thermal routes to cis/trans-2,3-diaminomaleonitrile and 4-aminoimidazole-5-carbonitrile, the important intermediates in the prebiotic chemistry.
PMID: 29369429 [PubMed - as supplied by publisher]
Source: Chemistry - January 25, 2018 Category: Chemistry Authors: Nandi S, Bhattacharyya D, Anoop A Tags: Chemistry Source Type: research
Search of non-ionic surfactants suitable for micellar liquid chromatography.
Abstract
Most reports in reversed-phase liquid chromatography (RPLC) with micellar mobile phases make use of the anionic sodium dodecyl sulfate. This surfactant masks efficiently the silanol groups that are the origin of the poor efficiencies and tailing peaks observed for basic compounds in conventional RPLC. However, it has the handicap of yielding excessive retention, which forces the addition of an organic solvent to reduce the retention times to practical values. Other surfactants, such as the non-ionic polyoxyethylene(23)lauryl ether (Brij-35), are rarely used. Brij-35 allows the separation of a large range ...
Source: Analytical and Bioanalytical Chemistry - June 19, 2018 Category: Chemistry Authors: Peris-García E, Rodríguez-Martínez J, Baeza-Baeza JJ, García-Alvarez-Coque MC, Ruiz-Angel MJ Tags: Anal Bioanal Chem Source Type: research
Controlling an organic synthesis robot with machine learning to search for new reactivity
Controlling an organic synthesis robot with machine learning to search for new reactivity, Published online: 18 July 2018; doi:10.1038/s41586-018-0307-8A robot instructed by a machine learning algorithm and coupled with real-time spectroscopic systems provides fast and accurate reaction outcome predictions and reactivity assessments, leading to the discovery of new reactions.
Source: Nature AOP - July 18, 2018 Category: Research Authors: Jaros ław M. Granda Liva Donina Vincenza Dragone De-Liang Long Leroy Cronin Source Type: research
Evaluation of Antimicrobial Activity of Four Organic Acids Used in Chicks Feed to Control Salmonella typhimurium: Suggestion of Amendment in the Search Standard.
Authors: El Baaboua A, El Maadoudi M, Bouyahya A, Belmehdi O, Kounnoun A, Zahli R, Abrini J
Abstract
Today, the general public has become increasingly aware of salmonellosis problems. Organic acids are known by their antimicrobial potential and commonly used for improving the quality of poultry feed. In this context, the present work evaluated the inhibitory effect of four organic acids, namely, acetic acid, citric acid, lactic acid, and tartaric acid, at different levels of contamination by Salmonella typhimurium. The neutralization of these organic acids in vitro and in the presence of one-day-old chick's organs ...
Source: International Journal of Microbiology - October 28, 2018 Category: Microbiology Tags: Int J Microbiol Source Type: research
Smiths Group unveils Smiths Medical spinout plan, search for new CEO
Smith Medical parent company Smiths Group (LON:SMIN) today announced plans to pursue a demerger with its Smiths Medical business, which will become separately listed in the UK.
Smiths Group said it believes the demerger will strengthen both companies and allow the newly separated medical business to better capitalize on its leading positions, product launches and other value-creating opportunities. The company said it expects to complete the demerger some time during the first half of next year.
“Pursuing a demerger of Smiths Medical will lead to two stronger companies each focusing on accelerating the execution of...
Source: Mass Device - March 22, 2019 Category: Medical Devices Authors: Fink Densford Tags: Business/Financial News Featured Wall Street Beat Smiths Group plc Smiths Medical Source Type: news
The Diverse Search for Synthetic, Semisynthetic and Natural Product Antibiotics From the 1940s and Up to 1960 Exemplified by a Small Pharmaceutical Player
The 1940s and 1950s witnessed a diverse search for not just natural product antibiotics but also for synthetic and semisynthetic compounds. This review revisits this epoch, using the research by a Danish pharmaceutical company, LEO Pharma, as an example. LEO adopted a strategy searching for synthetic antibiotics toward specific bacterial pathogens, in particular Mycobacterium tuberculosis, leading to the discovery of a new derivative of a known drug. Work on penicillin during and after WWII lead to the development of associated salts/esters and a search for new natural product antibiotics. This led initially to no new, mar...
Source: Frontiers in Microbiology - June 11, 2020 Category: Microbiology Source Type: research
Molecules, Vol. 28, Pages 1240: Energy Level Prediction of Organic Semiconductors for Photodetectors and Mining of a Photovoltaic Database to Search for New Building Units
Mustafa Kamal
Due to the large versatility in organic semiconductors, selecting a suitable (organic semiconductor) material for photodetectors is a challenging task. Integrating computer science and artificial intelligence with conventional methods in optimization and material synthesis can guide experimental researchers to develop, design, predict and discover high-performance materials for photodetectors. To find high-performance organic semiconductor materials for photodetectors, it is crucial to establish a relationship between photovoltaic properties and chemical structures before performing synthetic procedures i...
Source: Molecules - January 27, 2023 Category: Chemistry Authors: Jehad Saleh Sajjad Haider Muhammad Saeed Akhtar Muhammad Saqib Muqadas Javed Sayed Elshahat Ghulam Mustafa Kamal Tags: Article Source Type: research
How Publishers Are Preparing For Google ’s AI-Enhanced Search
Google's early reveal of its AI-enhanced Search Generative Experience (SGE) in May has sent publishers scrambling to prepare for a major disruption to their organic search traffic--which typically constitutes their largest source of readership--and ultimately, revenue. When fully incorporated into…#google #searchgenerative #sge
Source: Reuters: Health - August 10, 2023 Category: Consumer Health News Source Type: news
Synthetic Manipulation of Hybrid Perovskite Systems in Search of Novel and Enhanced Functionalities.
Abstract
Over the past few years the organic/Inorganic hybrid perovskite systems have emerged as a promising class of materials for photo-voltaic and electroluminescent thin film device applications, in view of their unique set of tunable optoelectronic properties. Importantly, these materials can be easily solution-processed at low temperatures and as such are amenable to facile molecular engineering. Thus, a variety of low dimensional forms and quantum structures of these materials can be obtained through strategic synthetic manipulations via small molecule incorporation or molecular ion doping. In this mini rev...
Source: ChemSusChem - August 13, 2017 Category: Chemistry Authors: Naphade R, Nagane S, Bansode U, Tathavadekar M, Sadhanala A, Ogale SB Tags: ChemSusChem Source Type: research
Identification of specific markers for amphetamine synthesised from the pre ‐precursor APAAN following the Leuckart route and retrospective search for APAAN markers in profiling databases from Germany and the Netherlands
In this study several syntheses of amphetamine following the Leuckart route were performed starting from different organic compounds including APAAN. The organic phases were analysed using GC/MS to search for signals caused by possible APAAN markers. Three compounds were discovered, isolated and based on the performed syntheses it was found that they are highly specific for the use of APAAN. Using mass spectra, high resolution MS and NMR data the compounds were characterised and identified as 2‐phenyl‐2‐butenenitrile, 3‐amino‐2‐phenyl‐2‐butenenitrile and 4‐amino‐6‐methyl‐5‐phenylpyrimidine. To inv...
Source: Drug Testing and Analysis - August 1, 2017 Category: Drugs & Pharmacology Authors: Frank M. Hauser, Thorsten R ößler, Janneke W. Hulshof, Diana Weigel, Ralf Zimmermann, Michael Pütz Tags: RESEARCH ARTICLE Source Type: research
The Search for Anticancer Agents from Tropical Plants.
Authors: Henkin JM, Ren Y, Soejarto DD, Kinghorn AD
Abstract
Many of the clinically used anticancer agents in Western medicine are derived from secondary metabolites found in terrestrial microbes, marine organisms, and higher plants, with additional compounds of this type being currently in clinical trials. If plants are taken specifically, it is generally agreed that the prospects of encountering enhanced small organic-molecule chemical diversity are better if tropical rather than temperate species are investigated in drug discovery efforts. Plant collection in tropical source countries requires considerable prepa...
Source: Progress in the chemistry of organic natural products - September 6, 2018 Category: Chemistry Tags: Prog Chem Org Nat Prod Source Type: research
Author Correction: Controlling an organic synthesis robot with machine learning to search for new reactivity
Nature, Published online: 26 June 2019; doi:10.1038/s41586-019-1218-zAuthor Correction: Controlling an organic synthesis robot with machine learning to search for new reactivity
Source: Nature AOP - June 25, 2019 Category: Research Authors: Jaros ław M. Granda Liva Donina Vincenza Dragone De-Liang Long Leroy Cronin Source Type: research
