4,960 Results Found

In this article, the critical spontaneous ignition temperature of both hydrocarbon and alcohol fuel was acquired on a constant volume combustion bomb platform by slowly heating the inner charges, and then followed by using the CHEMKIN-PRO software to...

The high viscosity and oxygen content of pyrolysis crude oil hinder the advancement of pyrolysis technology. To address the issue, this study conducted hydrodeoxygenation upgrading experiments on pyrolysis crude oil using hydrothermal directional con...

In the present study, the photocatalytic degradation of alachlor was investigated using TiO2 under sunlight irradiation. The effects of some operational parameters, such as photocatalyst concentration, temperature, pH, sunlight intensity and irradiat...

The aim of this work was to gain insights into the role of manganese in MnSBA-15 support for gold in the base-free glucose oxidation with H2O2 using a microwave reactor. MnSBA-15 (manganese—acidity source) and SBA-15 (for comparison) were modif...

Attapulgite (ATP) disaggregated by a ball milling–freezing process was used to support Fe/Ni bimetallic nanoparticles (nFe/Ni) to obtain a composite material of D-ATP-nFe/Ni for the dechlorination degradation of 2,4-dichlorophenol (2,4-DCP), th...

In purple bacteria, the genes of the carotenoid pathways are part of photosynthesis gene clusters which were distributed among different species by horizontal gene transfer. Their close organisation facilitated the first-time cloning of carotenogenic...

Taxol is one of the most effective anticancer drugs in the world that is widely used in the treatments of breast, lung and ovarian cancer. The elucidation of the taxol biosynthetic pathway is the key to solve the problem of taxol supply. So far, the...

A comprehensive theoretical investigation of the C3H2O potential energy surface (PES) was conducted, revealing 30 equilibrium structures (EQs), 128 transition state structures (TSs), and 35 direct dissociation channels (DCs), establishing a global re...

We previously developed the biochemical reaction simulator WinBEST-KIT. In recent years, research interest has shifted from analysis of individual biochemical reactions to analysis of metabolic pathways as systems. These large-scale and complicated m...

A high incidence of hypersensitivity reactions (HSRs) largely limits the use of paclitaxel injection. Currently, these reactions are considered to be mediated by histamine release and complement activation. However, the evidence is insufficient and t...

It is meaningful to understand the conversion pathways of nitrogen during the hydrothermal liquefaction process of microalgae to reveal the related reaction mechanisms and develop effective methods to prevent N from ending in biocrude, which eventual...

In recent years, hypersensitivity reactions to the Shuanghuanglian injection have attracted broad attention. However, the componential chief culprits inducing the reactions and the underlying mechanisms involved have not been completely defined. In t...

Phase-pure, highly crystalline sub-50 nm LiNbO3 nanocrystals were prepared from a non-aqueous solvothermal process for 72 h at 230 °C and a commercial precursor solution of mixed lithium niobium ethoxide in its parent alcohol. A systematic variat...

Reaction Systems (RSs) are a computational framework inspired by biochemical mechanisms. An RS defines a finite set of reactions over a finite set of entities (molecules, proteins, etc). Starting from an initial set of entities (the initial state), a...

The roles of catalyst acidity and basicity playing in catalytic conversion of oleic acid were studied in a fixed-bed micro-reactor at atmospheric pressure. The chemical compositions of the petroleum-like products were obtained and the reaction pathwa...

This study presents the development and validation of an elementary reaction pathway tracking algorithm based on reactive force field simulations, enabling the dynamic monitoring of cracking products at the 20,000-atom scale, the accurate identificat...

General Unified Microbiome Profiling Pipeline (GUMPP) was developed for large scale, streamlined and reproducible analysis of bacterial 16S rRNA data and prediction of microbial metagenomes, enzymatic reactions and metabolic pathways from amplicon da...

This study investigated the birnessite (δ-MnO2) catalyzed oxidative removal of 1,4-naphthoquinone (1,4-NPQ) in the presence of phenolic mediators; specifically, the kinetics of 1,4-NPQ removal under various conditions was examined, and the reac...

The mechanism of reaction in isobutane/2-butene alkylation systems is extremely complicated, accompanied by numerous side reactions. Therefore, a comprehensive understanding of the reaction pathways in this system is essential for an in-depth discuss...

Understanding the reaction pathway of aldehyde deformylation catalyzed by natural enzymes has shown significance in developing synthetic methodologies and new catalysts in organic, biochemical, and medicinal chemistry. However, unlike other well-rati...

Laser flash photolysis and high-resolution mass spectrometry were used to investigate the mechanism of one-electron oxidation of two S-alkylglutathiones using 3-carboxybenzophenone (3CB) as a photosensitizer. This report indicates an unexpected react...

Carbon dioxide (CO2) has been anticipated as an ideal carbon building block for organic synthesis due to the noble properties of CO2, which are abundant renewable carbon feedstock, non-toxic nature, and contributing to a more sustainable use of resou...

Nerol ((Z)-3,7-dimethylocta-2,6-dien-1-ol), (C10H18O), is a monoterpene alcohol that belongs to the family of BVOCs emitted naturally by means of vegetation and is found in various medicinal plants. This species attracted attention in the field of at...

Understanding the reaction pathways for the hydrogen oxidation reaction (HOR) and the oxygen reduction reaction (ORR) is the key to design electrodes for solid acid fuel cells (SAFCs). In general, electrochemical reactions of a fuel cell are consider...

The reaction pathway during the formation of silica via a two-component “non-aqueou” sol-gel synthesis is studied by in situ time-resolved Raman spectroscopy. This synthetic route is followed with and without the addition of the protic ionic liquid 1...

Human Tyrosinase (Tyr) is the rate-limiting enzyme of the melanogenesis pathway. Tyr catalyzes the oxidation of the substrate L-DOPA into dopachrome and melanin. Currently, the characterization of dopachrome-related products is difficult due to the a...

Carotenoids represent a class of pigmented terpenoids. They are distributed in all taxonomic groups of fungi. Most of the fungal carotenoids differ in their chemical structures to those from other organisms. The general function of carotenoids in het...

P450nor is a heme-containing enzyme that catalyzes the conversion of nitric oxide (NO) to nitrous oxide (N2O). Its catalytic mechanism has attracted attention in chemistry, biology, and environmental engineering. The catalytic cycle of P450nor is pro...

As one of the typical Maillard reaction products, furosine has been widely reported in a variety of heat-processed food. Though furosine was shown to be toxic on organs, its toxicity mechanism is still unclear. The present study aimed to investigate...

The intrinsic mechanism of Ni-catalyzed methanol steam reforming (MSR) is examined by considering 54 elementary reaction steps involved in MSR over Ni(111). Density functional theory computations and transition state theory analyses are performed on...

The biosynthesis of plumbagin is known to occur via the acetate polymalonate pathway; however there are several intermediary steps that remain unidentified that leads to its synthesis. The study identifies enzyme naphthoate synthase to catalyze the c...

Phosphoserine phosphatase (PSP), a member of the haloacid dehalogenase (HAD) superfamily that comprises the vast majority of phosphotransferases, is likely a steady-state regulator of the level of d-serine in the brain. The proposed catalytic cycle o...

Confined nanosized spaces at the interface between a metal and a seemingly inert material, such as a silicate, have recently been shown to influence the chemistry at the metal surface. In prior work, we observed that a bilayer (BL) silica on Ru(0001)...

The formation of (R)-methyl-(2-hydroxy-1-phenylethyl)carbamate through Pd(PPh3)4-catalyzed synthesis was investigated using computational methods to elucidate the reaction pathway and energetic feasibility. Density functional theory (DFT) calculation...

In this paper, the pathway model for the real scalar variable case is re-explored and its connections to fractional integrals, solutions of fractional differential equations, Tsallis statistics and superstatistics in statistical mechanics, the reacti...

The role of SO2 in the catalytic oxidation of light hydrocarbons remains controversial, especially in terms of its effects on catalyst performance and reaction pathways. In this study, the Pt/CeZrTiO2 catalyst was synthesized to explore the influence...

Solid oxide co-electrolysis cells can utilize renewable energy sources for the conversion of steam and carbon dioxide into valuable chemicals and feedstocks. An important challenge in the analysis of these devices is understanding the reaction pathwa...

To address global climate change and the energy crisis, there is an urgent need to meet human demands through utilizing renewable energy sources. The deoxygenation of lipids to produce liquid biofuels has emerged as a promising alternative, particula...

The aim of this study was to get insight into the pathway of the acetaldehyde formation from ethanol (the rate-limiting step in the production of 1,3-butadiene) on Cu-SBA-15 and Cu-MnSBA-15 mesoporous molecular sieves. Physicochemical properties of t...

The detailed decomposition pathway of ammonium perchlorate (AP) is important for the design of solid propellants containing AP. In this paper, the possible decomposition reactions of AP upon nitrogen-doped graphene (N-Gr) as a catalyst are investigat...

Akebia saponin D (ASD) is derived from the Dipsacus asper Wall. ex Henry, which is a traditional Chinese medicine commonly used to treat rheumatic arthritis (RA). However, the in-depth mechanism of the anti-inflammatory effect of ASD is still unclear...

Frying food can provide an attractive flavor relatively quickly; however, it inevitably produces some safety risks during high-temperature processing, with potentially adverse human health effects. Prolonged exposure to high temperatures during fryin...

This paper addresses the issues related to the favorable operating conditions for the small-scale production of synthesis gas from the catalytic partial oxidation of methane over rhodium. Numerical simulations were performed by means of computational...

A review of the current literature shows there is no clear consensus regarding the reaction mechanisms of air-borne aromatic compounds such as toluene by photocatalytic oxidation. Potential oxidation reactions over TiO2 or TiO2-based catalysts under...

As the most mature natural gas sweetening process, absorption has always been improved to meet the separation requirement. Recently, ultrasonic irradiation has been proposed as a technique that can intensify CO2 absorption. However, further studies a...

The gut microbiota plays a key role in cholesterol metabolism, mainly through the reduction of cholesterol to coprostanol. The latter sterol exhibits distinct physicochemical properties linked to its limited absorption in the gut. Few bacteria were r...

Metabolic-associated fatty liver disease is a major cause of chronic pathologies, of which maternal obesity is a frequent risk factor. Gut wall and microbiota, visceral fat, and liver form a pre-systemic network for substrates and pro-inflammatory fa...

For rechargeable metal–air batteries, which are a promising energy storage device for renewable and sustainable energy technologies, the development of cost-effective electrocatalysts with effective bifunctional activity for both oxygen reducti...

The catalytic combustion characteristics of methane-air mixtures in small-scale systems were investigated at elevated temperatures, with particular emphasis on identifying the main factors that affect formation and removal of combustion-generated pol...

Modern computational protocols based on the density functional theory (DFT) infer that polyhedral closo ten-vertex carboranes are key starting stationary states in obtaining ten-vertex cationic carboranes. The rearrangement of the bicapped square pol...