Abstract: The majority of the building stock of Budapest inner districts was built around the turn of the 19th and 20th century. Although the structural stability of the buildings is not questioned, as the load bearing structures are in sufficient state, the secondary structures are aged, resulting unsatisfactory energetic state. The renovation of these historical buildings requires special methodology and technology: their ornamented facades and custom-made fenestration cannot be insulated or exchanged with conventional solutions without damaging the heritage values. The present paper aims to introduce and systematize the possible technological solutions for heritage respecting energy retrofit in case of a historical residential building stock. Through case study, the possible energy saving potential is also calculated using multiple renovation scenarios.
Abstract: The biological function of an RNA molecule depends
on its structure. The objective of the alignment is finding the
homology between two or more RNA secondary structures. Knowing
the common functionalities between two RNA structures allows
a better understanding and a discovery of other relationships
between them. Besides, identifying non-coding RNAs -that is not
translated into a protein- is a popular application in which RNA
structural alignment is the first step A few methods for RNA
structure-to-structure alignment have been developed. Most of these
methods are partial structure-to-structure, sequence-to-structure, or
structure-to-sequence alignment. Less attention is given in the
literature to the use of efficient RNA structure representation and the
structure-to-structure alignment methods are lacking. In this paper,
we introduce an O(N2) Component-based Pairwise RNA Structure
Alignment (CompPSA) algorithm, where structures are given as
a component-based representation and where N is the maximum
number of components in the two structures. The proposed algorithm
compares the two RNA secondary structures based on their weighted
component features rather than on their base-pair details. Extensive
experiments are conducted illustrating the efficiency of the CompPSA
algorithm when compared to other approaches and on different real
and simulated datasets. The CompPSA algorithm shows an accurate
similarity measure between components. The algorithm gives the
flexibility for the user to align the two RNA structures based on
their weighted features (position, full length, and/or stem length).
Moreover, the algorithm proves scalability and efficiency in time and
memory performance.
Abstract: GRF, Growth regulating factor, genes encode a novel
class of plant-specific transcription factors. The GRF proteins play a
role in the regulation of cell numbers in young and growing tissues
and may act as transcription activations in growth and development
of plants. Identification of GRF genes and their expression are
important in plants to performance of the growth and development of
various organs. In this study, to better understanding the structural
and functional differences of GRFs family, 45 GRF proteins
sequences in A. thaliana, Z. mays, O. sativa, B. napus, B. rapa, H.
vulgare and S. bicolor, have been collected and analyzed through
bioinformatics data mining. As a result, in secondary structure of
GRFs, the number of alpha helices was more than beta sheets and in
all of them QLQ domains were completely in the biggest alpha helix.
In all GRFs, QLQ and WRC domains were completely protected
except in AtGRF9. These proteins have no trans-membrane domain
and due to have nuclear localization signals act in nuclear and they
are component of unstable proteins in the test tube.
Abstract: Protein structure determination and prediction has
been a focal research subject in the field of bioinformatics due to the
importance of protein structure in understanding the biological and
chemical activities of organisms. The experimental methods used by
biotechnologists to determine the structures of proteins demand
sophisticated equipment and time. A host of computational methods
are developed to predict the location of secondary structure elements
in proteins for complementing or creating insights into experimental
results. However, prediction accuracies of these methods rarely
exceed 70%.
Abstract: State-of-the-art methods for secondary structure (Porter, Psi-PRED, SAM-T99sec, Sable) and solvent accessibility (Sable, ACCpro) predictions use evolutionary profiles represented by the position specific scoring matrix (PSSM). It has been demonstrated that evolutionary profiles are the most important features in the feature space for these predictions. Unfortunately applying PSSM matrix leads to high dimensional feature spaces that may create problems with parameter optimization and generalization. Several recently published suggested that applying feature extraction for the PSSM matrix may result in improvements in secondary structure predictions. However, none of the top performing methods considered here utilizes dimensionality reduction to improve generalization. In the present study, we used simple and fast methods for features selection (t-statistics, information gain) that allow us to decrease the dimensionality of PSSM matrix by 75% and improve generalization in the case of secondary structure prediction compared to the Sable server.
Abstract: The physical methods for RNA secondary structure prediction are time consuming and expensive, thus methods for computational prediction will be a proper alternative. Various algorithms have been used for RNA structure prediction including dynamic programming and metaheuristic algorithms. Musician's behaviorinspired harmony search is a recently developed metaheuristic algorithm which has been successful in a wide variety of complex optimization problems. This paper proposes a harmony search algorithm (HSRNAFold) to find RNA secondary structure with minimum free energy and similar to the native structure. HSRNAFold is compared with dynamic programming benchmark mfold and metaheuristic algorithms (RnaPredict, SetPSO and HelixPSO). The results showed that HSRNAFold is comparable to mfold and better than metaheuristics in finding the minimum free energies and the number of correct base pairs.
Abstract: The classification of the protein structure is commonly
not performed for the whole protein but for structural domains, i.e.,
compact functional units preserved during evolution. Hence, a first
step to a protein structure classification is the separation of the
protein into its domains. We approach the problem of protein domain
identification by proposing a novel graph theoretical algorithm. We
represent the protein structure as an undirected, unweighted and
unlabeled graph which nodes correspond the secondary structure
elements of the protein. This graph is call the protein graph. The
domains are then identified as partitions of the graph corresponding
to vertices sets obtained by the maximization of an objective function,
which mutually maximizes the cycle distributions found in the
partitions of the graph. Our algorithm does not utilize any other kind
of information besides the cycle-distribution to find the partitions. If
a partition is found, the algorithm is iteratively applied to each of
the resulting subgraphs. As stop criterion, we calculate numerically
a significance level which indicates the stability of the predicted
partition against a random rewiring of the protein graph. Hence,
our algorithm terminates automatically its iterative application. We
present results for one and two domain proteins and compare our
results with the manually assigned domains by the SCOP database
and differences are discussed.
Abstract: The similarity comparison of RNA secondary
structures is important in studying the functions of RNAs. In recent
years, most existing tools represent the secondary structures by
tree-based presentation and calculate the similarity by tree alignment
distance. Different to previous approaches, we propose a new method
based on maximum clique detection algorithm to extract the maximum
common structural elements in compared RNA secondary structures.
A new graph-based similarity measurement and maximum common
subgraph detection procedures for comparing purely RNA secondary
structures is introduced. Given two RNA secondary structures, the
proposed algorithm consists of a process to determine the score of the
structural similarity, followed by comparing vertices labelling, the
labelled edges and the exact degree of each vertex. The proposed
algorithm also consists of a process to extract the common structural
elements between compared secondary structures based on a proposed
maximum clique detection of the problem. This graph-based model
also can work with NC-IUB code to perform the pattern-based
searching. Therefore, it can be used to identify functional RNA motifs
from database or to extract common substructures between complex
RNA secondary structures. We have proved the performance of this
proposed algorithm by experimental results. It provides a new idea of
comparing RNA secondary structures. This tool is helpful to those
who are interested in structural bioinformatics.
Abstract: Protein residue contact map is a compact
representation of secondary structure of protein. Due to the
information hold in the contact map, attentions from researchers in
related field were drawn and plenty of works have been done
throughout the past decade. Artificial intelligence approaches have
been widely adapted in related works such as neural networks,
genetic programming, and Hidden Markov model as well as support
vector machine. However, the performance of the prediction was not
generalized which probably depends on the data used to train and
generate the prediction model. This situation shown the importance
of the features or information used in affecting the prediction
performance. In this research, support vector machine was used to
predict protein residue contact map on different combination of
features in order to show and analyze the effectiveness of the
features.
Abstract: The full length mitochondrial small subunit ribosomal
(mt-rns) gene has been characterized for Ophiostoma novo-ulmi
subspecies americana. The gene was also characterized for
Ophiostoma ulmi and a group II intron was noted in the mt-rns gene
of O. ulmi. The insertion in the mt-rns gene is at position S952 and it
is a group IIB1 intron that encodes a double motif LAGLIDADG
homing endonuclease from an open reading frame located within a
loop of domain III. Secondary structure models for the mt-rns RNA
of O. novo-ulmi subsp. americana and O. ulmi were generated to
place the intron within the context of the ribosomal RNA. The in vivo
splicing of the O.ul-mS952 group II intron was confirmed with
reverse transcription-PCR. A survey of 182 strains of Dutch Elm
Diseases causing agents showed that the mS952 intron was absent in
what is considered to be the more aggressive species O. novo-ulmi
but present in strains of the less aggressive O. ulmi. This observation
suggests that the O.ul-mS952 intron can be used as a PCR-based
molecular marker to discriminate between O. ulmi and O. novo-ulmi
subsp. americana.
Abstract: The γ-turns play important roles in protein folding and
molecular recognition. The prediction and analysis of γ-turn types are
important for both protein structure predictions and better
understanding the characteristics of different γ-turn types. This study
proposed a physicochemical property-based decision tree (PPDT)
method to interpretably predict γ-turn types. In addition to the good
prediction performance of PPDT, three simple and human
interpretable IF-THEN rules are extracted from the decision tree
constructed by PPDT. The identified informative physicochemical
properties and concise rules provide a simple way for discriminating
and understanding γ-turn types.
Abstract: Protein 3D structure prediction has always been an
important research area in bioinformatics. In particular, the
prediction of secondary structure has been a well-studied research
topic. Despite the recent breakthrough of combining multiple
sequence alignment information and artificial intelligence algorithms
to predict protein secondary structure, the Q3 accuracy of various
computational prediction algorithms rarely has exceeded 75%. In a
previous paper [1], this research team presented a rule-based method
called RT-RICO (Relaxed Threshold Rule Induction from Coverings)
to predict protein secondary structure. The average Q3 accuracy on
the sample datasets using RT-RICO was 80.3%, an improvement
over comparable computational methods. Although this demonstrated
that RT-RICO might be a promising approach for predicting
secondary structure, the algorithm-s computational complexity and
program running time limited its use. Herein a parallelized
implementation of a slightly modified RT-RICO approach is
presented. This new version of the algorithm facilitated the testing of
a much larger dataset of 396 protein domains [2]. Parallelized RTRICO
achieved a Q3 score of 74.6%, which is higher than the
consensus prediction accuracy of 72.9% that was achieved for the
same test dataset by a combination of four secondary structure
prediction methods [2].
Abstract: Cancer becomes one of the leading cause of death in
many countries over the world. Fourier-transform infrared (FTIR)
spectra of human lung cancer cells (A549) treated with PMF (natural
product extracted from PM 701) for different time intervals were
examined. Second derivative and difference method were taken in
comparison studies. Cesium (Cs) and Rubidium (Rb) nanoparticles in
PMF were detected by Energy Dispersive X-ray attached to Scanning
Electron Microscope SEM-EDX. Characteristic changes in protein
secondary structure, lipid profile and changes in the intensities of
DNA bands were identified in treated A549 cells spectra. A
characteristic internucleosomal ladder of DNA fragmentation was
also observed after 30 min of treatment. Moreover, the pH values
were significantly increases upon treatment due to the presence of Cs
and Rb nanoparticles in the PMF fraction. These results support the
previous findings that PMF is selective anticancer agent and can
produce apoptosis to A549 cells.