Suppressed Layered-to-Spinel Phase Transition in δ-MnO via van der Waals Interaction for Highly Stable Zn/MnO Batteries.

Although birnessite-type manganese dioxide (δ-MnO ) with a large interlayer spacing (≈7 Å) is a promising cathode candidate for aqueous Zn/MnO batteries, the poor structural stability associated with Zn intercalation/deintercalation limits its further practical application. Herein, δ-MnO ultrathin nanosheets are coupled with reduced graphene oxide (rGO) via van der Waals (vdW) self-assembly in a vacuum freeze-drying process. It is interesting to find that the presence of vdW interaction between δ-MnO and rGO can effectively suppress the layered-to-spinel phase transition in δ-MnO during cycling.

Repeated dose toxicity study to assess the safety and reproductive/developmental safety of 7-methyl-2H-1,5-Benzodioxepin-3(4H)-One (Calone®) and the read across approach to its biodegradation metabolite 7-methyl-2H-1,5-benzodioxepin-3-ol (Calol).

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one (Calone®) is used in fragrances to impart a marine note. It is produced industrially at volumes requiring repeated dose and developmental/reproductive toxicology data (OECD TG 422) under European chemicals legislation (i.e.

Stabilizing Layered Structure in Aqueous Electrolyte via O2-Type Oxygen Stacking.

Despite the high energy density of O3-type layered cathode materials, the short cycle life in aqueous electrolyte hinders their practical applications in aqueous lithium-ion batteries (ALIBs). In this work, it is demonstrated that the structural stability of layered LiCoO in aqueous electrolyte can be remarkably improved by altering the oxygen stacking from O3 to O2. As compared to the O3-type LiCoO , the O2-type LiCoO exhibits significantly improved cycle performance in neutral aqueous electrolyte.

Stabilizing Layered Structure in Aqueous Electrolyte via Dynamic Water Intercalation/Deintercalation.

Aqueous lithium-ion batteries (ALIBs) with nonflammable feature attract great attention for large-scale energy storage. However, the layered cathode materials (such as LiCoO ) present serious capacity decay in ALIBs. The degradation mechanism of layered cathode materials in ALIBs is still not clear and an effective strategy to improve cycling stability remains a great challenge.

Exploiting adduct formation through an auxiliary spray in liquid chromatography-electrospray ionization mass spectrometry to improve charge-carrier identification.

We describe a simple and effective approach to probe adduct formation in liquid chromatography - electrospray ionization mass spectrometry (LC-ESI-MS) and help designate and/or confirm which particular analyte is leading to which particular charged species that is detected. A compound tends to form similar adducts with adduct-forming analogs, at various abundance levels, of course. It is based on this understanding that in this work we probed adduct formation by modulating the adduct-forming analogs and observing the adducts formed with these analogs to lend experimental evidence to adduct annotation.

Discovery and Development of S6821 and S7958 as Potent TAS2R8 Antagonists.

In humans, bitter taste is mediated by 25 TAS2Rs. Many compounds, including certain active pharmaceutical ingredients, excipients, and nutraceuticals, impart their bitter taste (or in part) through TAS2R8 activation. However, effective TAS2R8 blockers that can either suppress or reduce the bitterness of these compounds have not been described.

Impact of metformin on survival outcome of esophageal squamous cell carcinomas patients undergoing surgical resection: a multicenter retrospective study.

Background: Diabetes mellitus is a recognized risk factor for esophageal squamous cell carcinomas (ESCC), and metformin is a recognized protective factor for some gastrointestinal tumors. But knowledge is limited regarding the effect of metformin on survival outcome of ESCC patients with type 2 diabetes mellitus (T2DM). We assessed the impact of post-diagnosis metformin use on overall survival (OS) and disease-free survival (DFS) in ESCC with T2DM undergoing surgical resection.

Atomistic insights into the screening and role of oxygen in enhancing the Li conductivity of LiPSO solid-state electrolytes.

Herein, we implement first-principles calculations to design Li7P3S11-xOx at an atomic scale, aiming to obtain stable Li7P3S11-xOx-type solid electrolyte materials with good Li+ conductivity. After searching for chemical potentials, Li2O2 is expected to be the potential raw material, and it can afford the most favorable growth environment for the synthesis of Li7P3S11-xOx (x = 0.25, 0.

Atomistic Insights into FeF Nanosheet: An Ultrahigh-Rate and Long-Life Cathode Material for Li-Ion Batteries.

Iron fluoride with high operating voltage and theoretical energy density has been proposed as a high-performance cathode material for Li-ion batteries. However, the inertness of pristine bulk FeF results in poor Li kinetics and cycling life. Developing nanosheet-based electrode materials is a feasible strategy to solve these problems.

Toxicological evaluation of the flavour ingredient -(1-((4-amino-2,2-dioxido-1-benzo[][1,2,6]thiadiazin-5-yl)oxy)-2-methylpropan-2-yl)-2,6-dimethylisonicotinamide (S2218).

A toxicological evaluation of -(1-((4-amino-2,2-dioxido-1-benzo[][1,2,6]thiadiazin-5-yl)oxy)-2-methylpropan-2-yl)-2,6-dimethylisonicotinamide (S2218; CAS 1622458-34-7), a flavour with modifying properties, was completed for the purpose of assessing its safety for use in food and beverage applications. S2218 exhibited minimal oxidative metabolism , and in rat pharmacokinetic studies, the compound was poorly orally bioavailable and rapidly eliminated. S2218 was not found to be mutagenic in an bacterial reverse mutation assay, and was found to be neither clastogenic nor aneugenic in an mammalian cell micronucleus assay.

Toxicological evaluation and metabolism of two -alkyl benzamide umami flavour compounds: -(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide and ()--(1-methoxy-4-methylpentan-2-yl)-3,4-dimethylbenzamide.

Toxicological evaluations of two -alkyl benzamide umami flavour compounds, -(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide (S807, CAS 745047-51-2) and ()--(1-methoxy-4-methylpentan-2-yl)-3,4-dimethylbenzamide (S9229, CAS 851669-60-8), were completed for the purpose of assessing their safety for use in food and beverage applications. Both S807 and S9229 undergo rapid oxidative metabolism by both rat and human liver microsomes . In pharmacokinetic studies in rats, the systemic exposure to S9229 on oral administration is very low at all doses (% F < 1%), while that of S807 demonstrated a non-linear dose dependence.

Discovery and development of a novel class of phenoxyacetyl amides as highly potent TRPM8 agonists for use as cooling agents.

The paper presents the activity trends for a novel series of phenoxyacetyl amides as human TRPM8 receptor agonists. This series encompasses in vitro activity values ranging from the micromolar to the picomolar levels. Sensory evaluation of these molecules highlights their relevance as cooling agents for oral applications.

Toxicological evaluation of a novel umami flavour compound: 2-(((3-(2,3-Dimethoxyphenyl)-1-1,2,4-triazol-5-yl)thio)methyl)pyridine.

A toxicological evaluation of a umami flavour compound, 2-(((3-(2,3-dimethoxyphenyl)-1-1,2,4-triazol-5-yl)thio)methyl)pyridine (S3643; CAS 902136-79-2), was completed for the purpose of assessing its safety for use in food and beverage applications. S3643 undergoes extensive oxidative metabolism with rat microsomes producing the S3643-sulfoxide and 4'-hydroxy-S3643 as the major metabolites. In incubations with human microsomes, the -demethyl-S3643 and S3643-sulfoxide were produced as the major metabolites.

Toxicological evaluation of two novel bitter modifying flavour compounds: 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1-pyrazol-4-yl)-1-(3-hydroxybenzyl)imidazolidine-2,4-dione and 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1-pyrazol-4-yl)-1-(3-hydroxybenzyl)-5,5-dimethylimidazolidine-2,4-dione.

A toxicological evaluation of two novel bitter modifying flavour compounds, 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1-pyrazol-4-yl)-1-(3-hydroxybenzyl)imidazolidine-2,4-dione (S6821, CAS 1119831-25-2) and 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1-pyrazol-4-yl)-1-(3-hydroxybenzyl)-5,5-dimethylimidazolidine-2,4-dione (S7958, CAS 1217341-48-4), were completed for the purpose of assessing their safety for use in food and beverage applications. S6821 undergoes oxidative metabolism , and in rat pharmacokinetic studies both S6821 and S7958 are rapidly converted to the corresponding O-sulfate and O-glucuronide conjugates. S6821 was not found to be mutagenic or clastogenic , and did not induce micronuclei in bone marrow polychromatic erythrocytes .

Transient Ion-Pair Separations for Electrospray Mass Spectrometry.

We report a novel ion-pair chromatography (IPC) approach for liquid chromatography electrospray ionization mass spectrometry (LC-ESI-MS), where the eluent does not contain any ion-pairing reagent (IPR). The IPR is injected on the column, much like the sample, and moves down the column. Significant amounts of a high retention factor IPR is injected, resulting in a transient but reproducible regional coating that progresses along the column.

Toxicological evaluation of a novel cooling compound: 2-(4-methylphenoxy)--(1-pyrazol-3-yl)--(2-thienylmethyl)acetamide.

A toxicological evaluation of a novel cooling agent, 2-(4-methylphenoxy)--(1-pyrazol-3-yl)--(2-thienylmethyl) acetamide (S2227; CAS 1374760-95-8), was completed for the purpose of assessing its safety for use in food and beverage applications. S2227 undergoes rapid oxidative metabolism , and in rat and dog pharmacokinetic studies is rapidly converted to its component carboxylic acid and secondary amine. S2227 was not found to be mutagenic or clastogenic , and did not induce micronuclei in polychromatic erythrocytes .

Toxicological evaluation of the flavour ingredient 4-amino-5-(3-(isopropylamino)-2,2-dimethyl-3-oxopropoxy)-2-methylquinoline-3-carboxylic acid.

A toxicological evaluation of 4-amino-5-(3-(isopropylamino)-2,2-dimethyl-3-oxopropoxy)-2-methylquinoline-3-carboxylic acid(S9632; CAS 1359963-68-0), a flavour with modifying properties,was completed for the purpose of assessing its safety for use in food and beverage applications. No Phase I biotransformations of S9632 were observed in rat or human microsomes , and in rat pharmacokinetic studies, the compound was poorly orally bioavailable and rapidly eliminated. S9632 was not found to be mutagenic or clastogenic , and did not induce micronuclei or indicate interactions with the mitotic spindle in an mouse micronucleus assay at oral doses up to 2000 mg/kg.

Expanding the linear dynamic range for quantitative liquid chromatography-high resolution mass spectrometry utilizing natural isotopologue signals.

The linear dynamic range (LDR) for quantitative liquid chromatography-mass spectrometry can be extended until ionization saturation is reached by using a number of target isotopologue ions in addition to the normally used target ion that provides the highest sensitivity. Less abundant isotopologue ions extend the LDR: the lower ion abundance decreases the probability of ion detector saturation. Effectively the sensitivity decreases and the upper limit of the LDR increases.

Expanding the linear dynamic range for multiple reaction monitoring in quantitative liquid chromatography-tandem mass spectrometry utilizing natural isotopologue transitions.

We describe a method for expanding the linear dynamic range for multiple reaction monitoring (MRM) in quantitative liquid chromatography/tandem mass spectrometry (LC-MS/MS) using additional transitions for isotopologues. In addition to the regular transition for the highest possible sensitivity, a transition corresponding to the less abundant isotopologue ions was utilized. This decreases saturation at the ion detector; the sensitivity reduction increases the upper dynamic limit.

Black box linearization for greater linear dynamic range: the effect of power transforms on the representation of data.

Power transformations are commonly used in image processing techniques to manipulate image contrast. Many analytical results, including chromatograms, are essentially presented as images, often to convey qualitative information. Power transformations have remarkable effects on the appearance of the image, in chromatography, for example, increasing apparent resolution between peaks by the factor √n and apparent column efficiency (plate counts) by a factor of n for an nth-power transform.