Using density-functional tight-binding (DFTB)-based quantum chemical molecular dynamics at 2500 and 3000 K, we have performed simulations of benzene combustion by gradually reducing the hydrogen to carbon (H/C) ratio. The accuracy of DFTB for these simulations was found to be on the order of 7-9 kcal/mol when compared to higher-level B3LYP and G3-like quantum chemical methods in extensive benchmark calculations. Ninety direct-dynamics trajectories were run for up to 225 ps simulation time, during which hydrocarbon cluster size, curvature, and C(x)H(y) composition, carbon hybridization type, and ring count statistics were recorded. Giant fullerene cage formation was observed only after hydrogen was completely eliminated from the reaction mixture, with yields of around 50% at 2500 K and 42% at 3000 K. Cage sizes are mostly in the range from 152 to 202 carbon atoms, with the distribution shifting toward larger cages at lower temperature. In contrast to previous simulations of dynamics fullerene assembly from ensembles of C(2) molecules, we find that the resulting cages show smaller number of attached carbon chains (antenna) surviving until cage closure. Again, no direct formation pathway for C(60) from smaller fragments was observed. Our results challenge the idealized picture of "ordered" growth of PAHs along a route involving only maximally condensed and fully hydrogenated graphene platelets, and favor instead fleeting open-chains with ring structures attached, featuring a large number of hydrogen defects, pentagons, and other nonhexagon ring species.
Renin-binding protein (RnBP) is a highly specific renin inhibitor first isolated from porcine kidney. Our recent studies demonstrated that the human RnBP is the enzyme N-acetyl-D-glucosamine (GlcNAc) 2-epimerase [Takahashi, S. et al. (1999) J. Biochem. 125, 348-353]. We have developed a new assay method for GlcNAc 2-epimerase activity using a system of N-acyl-D-hexosamine oxidase coupled with peroxidase and employed this method to study the effects of renin on GlcNAc 2-epimerase activity. The recombinant human (rh) RnBP existed as a dimer and its GlcNAc 2-epimerase activity was strongly inhibited by the purified renin concomitant with the formation of RnBP-renin heterodimer, so-called high molecular weight (HMW) renin. The renin activity was also inhibited by rhRnBP in a dose-dependent manner. These results indicate that renin is an inhibitor of GlcNAc 2-epimerase, and the renin-RnBP heterodimer HMW renin is an inactive form of both renin and GlcNAc 2-epimerase activities.
The existence of human renin-binding protein (RnBP) in the kidney has been shown by the isolation and characterization of a complex of porcine renin-human RnBP [S. Takahashi et al. (1985) J. Biochem. 97, 671-677]. However, the properties of the free form of human RnBP had not been understood, because of the limitation of materials. In the present study, we have expressed human RnBP in Escherichia coli JM 109 cells under the transcriptional control of taq promoter and purified it by conventional column chromatographies. The purified recombinant human RnBP (rhRnBP) exists as a dimer and inhibits porcine renin activity through formation of a complex of porcine renin with rhRnBP, the so-called high-molecular-weight renin. Moreover, the rhRnBP catalyzes the interconversion between N-acetyl-D-glucosamine (GlcNAc) and N-acetyl-D-Mannosamine (ManNAc) with the apparent Km values of 21.3 mM for GlcNAc and 12.8 mM for ManNAc, and 0.13 mM for effector ATP. ATP is essential for the GlcNAc 2-epimerase activity of human RnBP. These results indicate that the human RnBP is a GlcNAc 2-epimerase.
We examined whether symptoms of dementia are improved by olfactory nerve stimulation in Alzheimer type dementia patients. First, a stick‐type olfactory identification ability test was performed in patients with Alzheimer type dementia, to select patients without olfactory dysfunctions. Then, these patients were randomly assigned into the intervention (n = 19) and the control groups (n = 17). To evaluate the effects of olfactory nerve stimulation, we exposed the intervention group to a disinfecting ethanol with added aroma extracts from ceder and the control group to the ethanol without the added aroma extracts. Each group underwent the intervention for 8 weeks, cognitive and behavioral functions were evaluated before and after treatments using the Neuropsychiatric Inventory (NPI), the Japanese version of Zarit Caregiver Burden interview (J‐ZBI), and the Alzheimer's Disease Assessment Scale‐cognitive subscale (ADAS‐cog). A significant improvement was observed in the NPI score and J‐ZBI in the intervention group compared to the control group at 4 and 8 weeks. On the other hand, there was no significant difference in the score of ADAS‐cog. Exposure to cedar fragrance improved behavioral and psychological symptoms of dementia (BPSD) in Alzheimer type dementia and may reduce the burden of nursing care. In addition to its effectiveness, the procedure is simple and minimally invasive and would be a valuable non‐pharmaceutical treatment.
L‐lactic acid production from spent grain with immobilized lactic acid bacteria was investigated. Spent grains were liquefied by a steam explosion treatment to obtain liquefied sugar. When 1 kg of wet spent grain was treated under the 30 kg/cm2pressure for 1 min using a 5‐L steam explosion reactor, 60 g of total sugar was obtained from the liquefied spent grain. Furthermore, 1.3% (w/v) of glucose, 0.4% (w/v) of xylose, and 0.1% (w/v) of arabinose were produced when the liquefied spent grain was treated with glucoamylase, cellulase, and hemicellulase enzymes. When batch L‐lactic acid production was carried out by Lactobacillus rhamnosus NBRC14710, 19.0 g/L L‐lactic acid was produced from the Tween 80 liquefied spent grain after 5 days. Furthermore, during repeated batch production with immobilized Lactobacillus rhamnosus NBRC14710 from Tween 80 liquefied spent grain at 37°C, the productivity of L‐lactic acid was maintained at a 10 time higher level over a period of 40 days.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.