Search results for "Paper"
showing 10 items of 2166 documents
Chemical Ligation and Isotope Labeling to Locate Dynamic Effects during Catalysis by Dihydrofolate Reductase.
2015
Abstract Chemical ligation has been used to alter motions in specific regions of dihydrofolate reductase from E. coli and to investigate the effects of localized motional changes on enzyme catalysis. Two isotopic hybrids were prepared; one with the mobile N‐terminal segment containing heavy isotopes (2H, 13C, 15N) and the remainder of the protein with natural isotopic abundance, and the other one with only the C‐terminal segment isotopically labeled. Kinetic investigations indicated that isotopic substitution of the N‐terminal segment affected only a physical step of catalysis, whereas the enzyme chemistry was affected by protein motions from the C‐terminal segment. QM/MM studies support th…
The discovery of novel antitrypanosomal 4-phenyl-6-(pyridin-3-yl)pyrimidines
2021
Human African trypanosomiasis, or sleeping sickness, is a neglected tropical disease caused by Trypanosoma brucei rhodesiense and Trypanosoma brucei gambiense which seriously affects human health in Africa. Current therapies present limitations in their application, parasite resistance, or require further clinical investigation for wider use. Our work herein describes the design and syntheses of novel antitrypanosomal 4-phenyl-6-(pyridin-3-yl)pyrimidines, with compound 13, the 4-(2-methoxyphenyl)-6-(pyridine-3-yl)pyrimidin-2-amine demonstrating an IC50 value of 0.38 μM and a promising off-target ADME-Tox profile in vitro. In silico molecular target investigations showed rhodesain to be a pu…
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate
2016
The decay channels of singlet excited adenine uracil monophosphate (ApU) in water are studied with CASPT2//CASSCF:MM potential energy calculations and simulation of the 2D-UV spectroscopic fingerprints with the aim of elucidating the role of the different electronic states of the stacked conformer in the excited state dynamics. The adenine 1La state can decay without a barrier to a conical intersection with the ground state. In contrast, the adenine 1Lb and uracil S(U) states have minima that are separated from the intersections by sizeable barriers. Depending on the backbone conformation, the CT state can undergo inter-base hydrogen transfer and decay to the ground state through a conical …
Non-Isothermal Mathematical Model of Wood and Paper Drying
2002
A mathematical model of wood or paper drying based on a detailed consideration of both heat and moisture transport phenomena is proposed. By averaging we express the model as a sequence of initial value problems for systems of two first order nonlinear ordinary differential equations. This mathematical model makes it possible to efficiently investigate the drying process of a thin wood plate or paper sheet for varying temperature and humidity conditions in the surroundings. In particular, we have considered the optimization of the heat regime over a series of steam-heated cylinders in a papermaking machine.
Electroburning of few-layer graphene flakes, epitaxial graphene, and turbostratic graphene discs in air and under vacuum
2015
Graphene-based electrodes are very promising for molecular electronics and spintronics. Here we report a systematic characterization of the electroburning (EB) process, leading to the formation of nanometer-spaced gaps, on different types of few-layer graphene (namely mechanically exfoliated graphene on SiO2, graphene epitaxially grown on the C-face of SiC and turbostratic graphene discs deposited on SiO2) under air and vacuum conditions. The EB process is found to depend on both the graphene type and on the ambient conditions. For the mechanically exfoliated graphene, performing EB under vacuum leads to a higher yield of nanometer-gap formation than working in air. Conversely, for graphene…
2-exo,5-endo,8,8,10-Pentachlorobornane
2008
The title compound, C(10)H(13)Cl(5), is a polychlorinated monoterpene and a Toxaphene congener. This compound is also the only penta-chlorinated derivative of camphene formed via ionic chlorination. Previously, the title compound was thought to be 2-exo,5-endo,9,9,10-penta-chloro-bornane, but X-ray structural analysis showed it to have a different structure and rather to be 2-exo,5-endo,8,8,10-penta-chloro-bornane. The title compound shows static disorder and almost half the molecule was divided in two partitions with an occupancy ratio of 0.575 (major) to 0.425 (minor). The repulsive close contacts of Cl atoms could possibly be the cause for this disorder.
Enzymatic Hydrolysis of Lignocellulose for Bioethanol Production
2017
Abstract The effect of temperature, time and amount of enzyme on hydrolysis of wheat straw lignocellulose remaining after furfural production was studied. The residual substrate was subjected to enzymatic hydrolysis at different temperatures — 45 °C, 50 °C and 55 °C. Hydrolysis time was 72 hours, and samples were taken every 24 hours. The maximum glucose yield (76.5% of the theoretically possible) was reached when hydrolysis temperature 50 °C was used. The production rate of glucose increased with a hydrolysis period of time. The yield of glucose significantly depended on the ratio of enzyme to substrate.
Information structure and practice as facilitators of deaf users' navigation in textual websites
2009
Deaf users might find it difficult to navigate through websites with textual content which, for many of them, constitutes the written representation of a non-native oral language. With the aim of testing how the information structure could compensate for this difficulty, 27 prelingual deaf users of sign language were asked to search a set of headlines in a web newspaper where information structure and practice were manipulated. While practice did not affect deep structures (web content distributed through four layers of nodes), wide structures (web content concentrated in two layers) did facilitate users' performance in the last trial block and compromised it in the first trial block. It is…
Potential use of the organic fraction of municipal solid waste in anaerobic co-digestion with wastewater in submerged anaerobic membrane technology
2016
Food waste was characterized for its potential use as substrate for anaerobic co-digestion in a submerged anaerobic membrane bioreactor pilot plant that treats urban wastewater (WW). 90% of the particles had sizes under 0.5 mm after grinding the food waste in a commercial food waste disposer. COD, nitrogen and phosphorus concentrations were 100, 2 and 20 times higher in food waste than their average concentrations in WW, but the relative flow contribution of both streams made COD the only pollutant that increased significantly when both substrates were mixed. As sulphate concentration in food waste was in the same range as WW, co-digestion of both substrates would increase the COD/SO4-S rat…
Protective Effects of Foam Rolling against Inflammation and Notexin Induced Muscle Damage in Rats
2019
It is known that high-intensity exercise can cause inflammation and damage in muscle tissue, and in recent years, physical therapists and fitness professionals have begun to use foam rolling as a recovery method to improve performance. Despite the lack of basic science studies to support or refute the efficacy of foam rolling, the technique is very widely used in the sports world. In this respect, we investigated whether foam rolling could attenuate muscle damage and inflammation. Female Wistar rats were assigned to control (C), foam rolling (FR), notexin without foam rolling (N) and notexin with foam rolling (NFR) groups. A 4.5 x 2 cm foam roller was used to massage their hind legs (two 60…