Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches

The recently proposed renormalized (R) and completely renormalized (CR) coupled-cluster (CC) methods of the CCSD[T] and CCSD(T) types have been implemented using recursively generated intermediates and fast matrix multiplication routines. The details of this implementation, including the complete set of equations that have been used in writing efficient computer codes, memory requirements, and typical CPU timings, are discussed. The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) computer codes and similar codes for the standard CC methods, including the LCCD, CCD, CCSD, CCSD[T], and CCSD(T) approaches, have been incorporated into the gamess package. Information about the main features of this new set of CC programs is provided.     

Assessment of Highway Bridge Upgrading by Dynamic Testing and Finite-Element Model Updating

The Land Transport Authority of Singapore has a continuing program of highway bridge upgrading for refurbishing and strengthening bridges to allow for increasing vehicle traffic and increasing axle loads. One subject of this program has been a short-span bridge taking a busy main road across a coastal inlet near a major port facility. Experiment-based structural assessments of the bridge were conducted before and after upgrading works including strengthening. Each assessment exercise comprised three separate components: (1) a strain and acceleration monitoring exercise lasting approximately one month; (2) a full-scale dynamic test carried out in a single day without closing the bridge; and (3) a finite-element model updating exercise to identify structural parameters and mechanisms. This paper presents the dynamic testing and the modal analysis used to identify the vibration properties and the quantification of the effectiveness of the upgrading through the subsequent model updating. Before and after upgrade, similar sets of vibration modes were identified, resembling those of an orthotropic plate with relatively weak transverse bending stiffness. Conversion of bearings from nominal simple supports to nominal full fixity was shown via model updating to be the principal cause of natural frequency increases of up to 50%. The utility of the combined experimental and analytical process in direct identification of structural properties has been proven, and the procedure can be applied to other structures and their capacity assessments.     

Non-contact methods of measuring moisture concentration in external layers of building partitions: III—Water vapour condensation on the cementitious surfaces

This paper presents the results of the larger study into a potential application of laser radiation for the detection of phase transition processes in low temperatures occurring on the surface layers of cementitious materials. An attempt was made to identify relationships between the environmental conditions—temperature and air humidity, and the selected parameters of the reflected light. Onset of the condensation process and formation of water microdrops on the surface of the material leads to the phase displacement of individual laser rays, which are represented by different speckle images.

Although the analysis of parameters of the reflected light are very difficult in the case of porous materials because of highly developed roughness of the surface structure it has been proved that a dynamic study of the phase transition phenomena can be successfully carried out without mechanical intervention.     

Non-contact methods of measuring moisture concentration in external layers of building partitions II—Monitoring of the water vapour condensation on porous surfaces

This paper present the results of the investigation into a potential application of laser radiation for the detection of phase transition processes occurring on the surface layers of porous materials. An attempt was made to discuss in the approximation equations, the relationships between coefficients of the reflected light, the temperature and humidity of the surrounding environment. Laser light reflected from the porous surface carries information about the roughness of the structure. The presence of water microdrop on the surface of the porous material, as a result of condensation and thus a phase transition, leads to the phase displacement of individual rays, which is represented by different images. Therefore, a comprehensive analysis of the reflected light parameters allows a dynamic study of the phase transition phenomena without mechanical intervention.     

From dust till drawn

We present a system for drawing pastel media in real-time as an effective alternative to most existing digital solutions that basically allow for drawing arbitrary strokes in a particular style. Our approach is focused on the simulation of the natural material itself and on its interaction with the drawing surface and the drawing tool. Upon free-form drawing, a bidirectional transfer of pigment takes place. In one direction, the paper surface is dusted with new pigment particles broken off the tip (i.e., the end of the drawing tool). A large part of these particles will be deposited or blended together with previously deposited ones whereas the remainder does not contribute to the drawing and is blown off. On the other hand, a certain amount of previously deposited pigment is scraped off and picked up again soiling the tip. This is noticeable in the next strokes to be drawn. Furthermore, both the tip and the paper surface are subject to weathering depending on the exerted pressure and friction of the drawing tool, and the bumpiness of the paper. As a result, the paper surface becomes slightly damaged, limiting the deposition of new pigment. The tip, on the other hand, becomes blunt making new strokes wider. From a stylistic point of view, similarly to traditional drawings our results convey the artists’ characteristics (e.g., the way of wielding the brush, skillfulness, feeling for the medium). Therefore, we believe that our system allows an artist to create realistically looking pastel images without losing his/her personal touch.     

A mixture theory for heat conduction in heterogeneous media

A mixture theory based on the ensemble-averaging technique is proposed for studying the thermal behaviour of heterogeneous media. Balance equations with partial heat fluxes and interaction terms are introduced for a two-component medium. Relations between these quantities and the ensemble-averaged (mean) temperatures of separate components are derived. The limits of application of widely used postulates of proportionality of the interaction term of difference in mean temperature of components is discussed. The effective conductivities of components in the mixture and the interaction coefficient are introduced and related to the so-called microstructure functions, which are functions of the microgeometry of the medium and the thermal properties of its components. Examples of the application of the theory to the calculation of the mean properties of a heterogeneous medium are presented.     

mRNA and miRNA Expression Analyses of the MYC/E2F/miR-17-92 Network in the Most Common Pediatric Brain Tumors

Numerous molecular factors disrupt the correctness of the cell cycle process leading to the development of cancer due to increased cell proliferation. Among known causative factors of such process is abnormal gene expression. Nowadays in the light of current knowledge such alterations are frequently considered in the context of mRNA–miRNA correlation. One of the molecular factors with potential value in tumorigenesis is the feedback loop between MYC and E2F genes in which miR-17-5p and miR-20a from the miR-17-92 cluster are involved. The current literature shows that overexpression of the members of the OncomiR-1 are involved in the development of many solid tumors. In the present work, we investigated the expression of components of the MYC/E2F/miR-17-92 network and their closely related elements including members of MYC and E2F families and miRNAs from two paralogs of miR-17-92: miR-106b-25 and miR-106a-363, in the most common brain tumors of childhood, pilocytic astrocytoma (PA), WHO grade 1; ependymoma (EP), WHO grade 2; and medulloblastoma (MB), WHO grade 4. We showed that the highest gene expression was observed in the MYC family for MYCN and in the E2F family for E2F2. Positive correlation was observed between the gene expression and tumor grade and type, with the highest expression being noted for medulloblastomas, followed by ependymomas, and the lowest for pilocytic astrocytomas. Most members of miR-17-92, miR-106a-363 and miR-106b-25 clusters were upregulated and the highest expression was noted for miR-18a and miR-18b. The rest of the miRNAs, including miR-19a, miR-92a, miR-106a, miR-93, or miR-25 also showed high values. miR-17-5p, miR-20a obtained a high level of expression in medulloblastomas and ependymomas, while close to the control in the pilocytic astrocytoma samples. miRNA expression also depended on tumor grade and histology.     

Gouda Cheese with Modified Content of β-Casein as a Source of Peptides with ACE- and DPP-IV-Inhibiting Bioactivity: A Study Based on In Silico and In Vitro Protocol

In silico and in vitro methods were used to analyze ACE- and DPP-IV-inhibiting potential of Gouda cheese with a modified content of β-casein. Firstly, the BIOPEP-UWM database was used to predict the presence of ACE and DPP-IV inhibitors in casein sequences. Then, the following Gouda cheeses were produced: with decreased, increased, and normative content of β-casein after 1 and 60 days of ripening each (six variants in total). Finally, determination of the ACE/DPP-IV-inhibitory activity and the identification of peptides in respective Gouda-derived water-soluble extracts were carried out. The identification analyses were supported with in silico calculations, i.e., heatmaps and quantitative parameters. All Gouda variants exhibited comparable ACE inhibition, whereas DPP-IV inhibition was more diversified among the samples. The samples derived from Gouda with the increased content of β-casein (both stages of ripening) had the highest DPP-IV-inhibiting potency compared to the same samples measured for ACE inhibition. Regardless of the results concerning ACE and DPP-IV inhibition among the cheese samples, the heatmap showed that the latter bioactivity was predominant in all Gouda variants, presumably because it was based on the qualitative approach (i.e., peptide presence in the sample). Our heatmap did not include the bioactivity of a single peptide as well as its quantity in the sample. In turn, the quantitative parameters showed that the best sources of ACE/DPP-IV inhibitors were all Gouda-derived extracts obtained after 60 days of the ripening. Although our protocol was efficient in showing some regularities among Gouda cheese variants, in vivo studies are recommended for more extensive investigations of this subject.     

Myopathy-Sensitive G-Actin Segment 227-235 Is Involved in Salt-Induced Stabilization of Contacts within the Actin Filament

Formation of stable actin filaments, critically important for actin functions, is determined by the ionic strength of the solution. However, not much is known about the elements of the actin fold involved in ionic-strength-dependent filament stabilization. In this work, F-actin was destabilized by Cu²⁺ binding to Cys374, and the effects of solvent conditions on the dynamic properties of F-actin were correlated with the involvement of Segment 227-235 in filament stabilization. The results of our work show that the presence of Mg²⁺ at the high-affinity cation binding site of Cu-modified actin polymerized with MgCl₂ strongly enhances the rate of filament subunit exchange and promotes the filament instability. In the presence of 0.1 M KCl, the filament subunit exchange was 2–3-fold lower than that in the MgCl₂-polymerized F-actin. This effect correlates with the reduced accessibility of the D-loop and Segment 227-235 on opposite filament strands, consistent with an ionic-strength-dependent conformational change that modulates involvement of Segment 227-235 in stabilization of the intermonomer interface. KCl may restrict the mobility of the α-helix encompassing part of Segment 227-235 and/or be bound to Asp236 at the boundary of Segment 227-235. These results provide experimental evidence for the involvement of Segment 227-235 in salt-induced stabilization of contacts within the actin filament and suggest that they can be weakened by mutations characteristic of actin-associated myopathies.     

The Role of TNF-α and Anti-TNF-α Agents during Preconception,Pregnancy, and Breastfeeding

Tumor necrosis factor-alpha (TNF-α) is a multifunctional Th1 cytokine and one of the most important inflammatory cytokines. In pregnancy, TNF-α influences hormone synthesis, placental architecture, and embryonic development. It was also shown that increased levels of TNF-α are associated with pregnancy loss and preeclampsia. Increased TNF-α levels in complicated pregnancy draw attention to trophoblast biology, especially migratory activity, syncytialisation, and endocrine function. Additionally, elevated TNF-α levels may affect the maternal-fetal relationship by altering the secretory profile of placental immunomodulatory factors, which in turn affects maternal immune cells. There is growing evidence that metabolic/pro-inflammatory cytokines can program early placental functions and growth in the first trimester of pregnancy. Furthermore, early pregnancy placenta has a direct impact on fetal development and maternal immune system diseases that release inflammatory (e.g., TNF-α) and immunomodulatory factors, such as chronic inflammatory rheumatic, gastroenterological, or dermatological diseases, and may result in an abnormal release of cytokines and chemokines in syncytiotrophoblasts. Pregnancy poses a challenge in the treatment of chronic disease in patients who plan to have children. The activity of the disease, the impact of pregnancy on the course of the disease, and the safety of pharmacotherapy, including anti-rheumatic agents, in pregnancy should be considered.