Time evolution of the Luttinger model with nonuniform temperature profile

We study the time evolution of a one-dimensional interacting fermion system described by the Luttinger model starting from a nonequilibrium state defined by a smooth temperature profile $T(x)$. As a specific example we consider the case when $T(x)$ is equal to $T_L$ ($T_R$) far to the left (right). Using a series expansion in $\epsilon = 2(T_{R} - T_{L})/(T_{L}+T_{R})$, we compute the energy density, the heat current density, and the fermion two-point correlation function for all times $t \geq 0$. For local (delta-function) interactions, the first two are computed to all orders, giving simple exact expressions involving the Schwarzian derivative of the integral of $T(x)$. For nonlocal interactions, breaking scale invariance, we compute the nonequilibrium steady state (NESS) to all orders and the evolution to first order in $\epsilon$. The heat current in the NESS is universal even when conformal invariance is broken by the interactions, and its dependence on $T_{L,R}$ agrees with numerical results for the $XXZ$ spin chain. Moreover, our analytical formulas predict peaks at short times in the transition region between different temperatures and show dispersion effects that, even if nonuniversal, are qualitatively similar to ones observed in numerical simulations for related models, such as spin chains and interacting lattice fermions.Comment: 9 pages, REVTeX, 4 figures; extended version of original submission with minor corrections; final published version with minor update

The correlation of RNase A enzymatic activity with the changes in the distance between Nepsilon2-His12 and N delta1-His119 upon addition of stabilizing and destabilizing salts.

The effect of stabilizing and destabilizing salts on the catalytic behavior of ribonuclease A (RNase A) was investigated at pH 7.5 and 25 degrees C, using spectrophotometric, viscometric and molecular dynamic methods. The changes in the distance between N(epsilon2) of His(12) and N(delta1) of His(119) at the catalytic center of RNase A upon the addition of sodium sulfate, sodium hydrogen sulfate and sodium thiocyanate were evaluated by molecular dynamic methods. The compactness and expansion in terms of Stokes radius of RNase A upon the addition of sulfate ions as kosmotropic salts, and thiocyanate ion as a chaotropic salt, were estimated by viscometric measurements. Enzyme activity was measured using cytidine 2', 3'-cyclic monophosphate as a substrate. The results from the measurements of distances between N(epsilon2) of His(12) and N(delta1) of His(119) and Stokes radius suggest (i) that the presence of sulfate ions decreases the distance between the catalytic His residues and increases the globular compactness, and (ii) that there is an expansion of the enzyme surface as well as elongation of the catalytic center in the presence of thiocyanate ion. These findings are in agreement with activity measurements

The calcium-free form of atorvastatin inhibits amyloid-β(1–42) aggregation in vitro

Alzheimer's disease is characterized by the presence of extraneuronal amyloid plaques composed of amyloid-beta (A beta) fibrillar aggregates in the brains of patients. In mouse models, it has previously been shown that atorvastatin (Ator), a cholesterol-lowering drug, has some reducing effect on the production of cerebral A beta. A meta-analysis on humans showed moderate effects in the short term but no improvement in the Alzheimer's Disease Assessment Scale-Cognitive Subscale behavioral test. Here, we explore a potential direct effect of Ator on A beta 42 aggregation. Using NMR-based monomer consumption assays and CD spectroscopy, we observed a promoting effect of Ator in its original form (Ator-calcium) on A beta 42 aggregation, as expected because of the presence of calcium ions. The effect was reversed when applying a CaCO3- based calcium ion scavenging method, which was validated by the aforementioned methods as well as thioflavin-T fluorescence assays and transmission electron microscopy. We found that the aggregation was inhibited significantly when the concentration of calcium-free Ator exceeded that of A beta by at least a factor of 2. The H-1-N-15 heteronuclear single quantum correlation and saturation-transfer difference NMR data suggest that calcium-free Ator exerts its effect through interaction with the (KLVF19)-K-16 binding site on the A beta peptide via its aromatic rings as well as hydroxyl and methyl groups. On the other hand, molecular dynamics simulations confirmed that the increasing concentration of Ator is necessary for the inhibition of the conformational transition of A beta from an alpha-helix-dominant to a beta-sheet-dominant structure

Genotyping of acanthamoeba in rural drinking water sources in Kashan and Aran-Bidgol, Iran

Background and purpose: Acanthamoeba spp. are an opportunistic protozoan in environmental sources that can cause respiratory infection and keratitis. The present study was conducted to determine the prevalence and genotypes of Acanthamoeba in rural drinking water sources in Kashan and Aran- Bidgol, Iran. Materials and methods: In this study, 162 samples from 54 drinking water sources were collected in 2017. After samples filtration, they were cultured on non-nutrient agar to isolate free-living amoeba. After DNA extraction, the Polymerase Chain Reaction using JDP1, JDP2 primers was performed to detect Acanthamoeba spp. and finally the genotype of eight isolates was determined. Data analysis was done in SPSS applying Chi-square and Fisher�s exact test. Results: Among the samples 35.2 were found to be contaminated with free-living amoeba, among which 19 isolates (11.7) were confirmed as Acanthamoeba. The rates of free-living amoeba and Acanthamoba were 35.4 and 11.8, respectively, in Kashan, which were higher than those in Aran- Bidgol. Frequency of free-living amoeba in Qanat, well, and spring was 55.6, 30.2, and 26.7, respectively. Acanthamoeba contamination rates were 13.9, 11.5 and 10, respectively. Acanthamoeba contamination rate was higher in surface wells than that in deep wells. The genotype of all Acanthamoeba isolates belonged to T4. Conclusion: This study revealed that drinking water sources were contaminated with free-living amoeba and Acanthamoeba. All isolates were T4 genotype, therefore, these sources could be considered as a risk factor for public health. © 2018, Mazandaran University of Medical Sciences. All rights reserved

DigiMOF: A Database of Metal–Organic Framework Synthesis Information Generated via Text Mining

The vastness of materials space, particularly that which is concerned with metal–organic frameworks (MOFs), creates the critical problem of performing efficient identification of promising materials for specific applications. Although high-throughput computational approaches, including the use of machine learning, have been useful in rapid screening and rational design of MOFs, they tend to neglect descriptors related to their synthesis. One way to improve the efficiency of MOF discovery is to data-mine published MOF papers to extract the materials informatics knowledge contained within journal articles. Here, by adapting the chemistry-aware natural language processing tool, ChemDataExtractor (CDE), we generated an open-source database of MOFs focused on their synthetic properties: the DigiMOF database. Using the CDE web scraping package alongside the Cambridge Structural Database (CSD) MOF subset, we automatically downloaded 43,281 unique MOF journal articles, extracted 15,501 unique MOF materials, and text-mined over 52,680 associated properties including the synthesis method, solvent, organic linker, metal precursor, and topology. Additionally, we developed an alternative data extraction technique to obtain and transform the chemical names assigned to each CSD entry in order to determine linker types for each structure in the CSD MOF subset. This data enabled us to match MOFs to a list of known linkers provided by Tokyo Chemical Industry UK Ltd. (TCI) and analyze the cost of these important chemicals. This centralized, structured database reveals the MOF synthetic data embedded within thousands of MOF publications and contains further topology, metal type, accessible surface area, largest cavity diameter, pore limiting diameter, open metal sites, and density calculations for all 3D MOFs in the CSD MOF subset. The DigiMOF database and associated software are publicly available for other researchers to rapidly search for MOFs with specific properties, conduct further analysis of alternative MOF production pathways, and create additional parsers to search for additional desirable properties

A comparative evaluation of dried activated sludge and mixed dried activated sludge with rice husk silica to remove hydrogen sulfide.

The aim of this study was to investigate the effectiveness of dried activated sludge (DAS) and mixed dried activated sludge with rice husk silica (DAS & RHS) for removal of hydrogen sulfide (H2S). Two laboratory-scale filter columns (packed one litter) were operated. Both systems were operated under different conditions of two parameters, namely different inlet gas concentrations and different inlet flow rates. The DAS & RHS packed filter showed more than 99.96% removal efficiency (RE) with empty bed residence time (EBRT) of 45 to 90 s and 300 mg/L inlet concentration of H2S. However, the RE decreased to 96.87% with the EBRT of 30 s. In the same condition, the DAS packed filter showed 99.37% RE. Nonetheless, the RE was shown to have dropped to 82.09% with the EBRT of 30 s. The maximum elimination capacity (EC) was obtained in the DAS & RHS packed filter up to 52.32 g/m3h, with the RE of 96.87% and H2S mass loading rate of 54 g/m3h. The maximum EC in the DAS packed filter was obtained up to 44.33 g/m3h with the RE of 82.09% and the H2S mass loading rate of 54 g/m3h. After 53 days of operating time and 54 g/m3h of loading rates, the maximum pressure drop reached to 3.0 and 8.0 (mm H2O) for the DAS & RHS packed and DAS packed filters, respectively. Based on the findings of this study, the DAS & RHS could be considered as a more suitable packing material to remove H2S

A biophysical study on the mechanism of interactions of DOX or PTX with α-lactalbumin as a delivery carrier

© 2018, The Author(s). Doxorubicin and paclitaxel, two hydrophobic chemotherapeutic agents, are used in cancer therapies. Presence of hydrophobic patches and a flexible fold could probably make α-Lactalbumin a suitable carrier for hydrophobic drugs. In the present study, a variety of thermodynamic, spectroscopic, computational, and cellular techniques were applied to assess α-lactalbumin potential as a carrier for doxorubicin and paclitaxel. According to isothermal titration calorimetry data, the interaction between α-lactalbumin and doxorubicin or paclitaxel is spontaneous and the K (M−1) value for the interaction of α-lactalbumin and paclitaxel is higher than that for doxorubicin. Differential scanning calorimetry and anisotropy results indicated formation of α-lactalbumin complexes with doxorubicin or paclitaxel. Furthermore, molecular docking and dynamic studies revealed that TRPs are not involved in α-Lac’s interaction with Doxorubicin while TRP 60 interacts with paclitaxel. Based on Pace analysis to determine protein thermal stability, doxorubicin and paclitaxel induced higher and lower thermal stability in α-lactalbumin, respectively. Besides, fluorescence lifetime measurements reflected that the interaction between α-lactalbumin with doxorubicin or paclitaxel was of static nature. Therefore, the authors hypothesized that α-lactalbumin could serve as a carrier for doxorubicin and paclitaxel by reducing cytotoxicity and apoptosis which was demonstrated during our in vitro cell studies