Complex Folding Research Articles

Mapping conformational landscape in protein folding: Benchmarking dimensionality reduction and clustering techniques on the Trp-Cage mini-protein.

Quantitative characterization of protein conformational landscapes is a computationally challenging task due to their high dimensionality and inherent complexity. In this study, we systematically benchmark several widely used dimensionality reduction and clustering methods to analyze the conformational states of the Trp-Cage mini-protein, a model system with well-documented folding dynamics. Dimensionality reduction techniques, including Principal Component Analysis (PCA), Time-lagged Independent Component Analysis (TICA), and Variational Autoencoders (VAE), were employed to project the high-dimensional free energy landscape onto 2D spaces for visualization. Additionally, clustering methods such as K-means, hierarchical clustering, HDBSCAN, and Gaussian Mixture Models (GMM) were used to identify discrete conformational states directly in the high-dimensional space. Our findings reveal that density-based clustering approaches, particularly HDBSCAN, provide physically meaningful representations of free energy minima. While highlighting the strengths and limitations of each method, our study underscores that no single technique is universally optimal for capturing the complex folding pathways, emphasizing the necessity for careful selection and interpretation of computational methods in biomolecular simulations. These insights will contribute to refining the available tools for analyzing protein conformational landscapes, enabling a deeper understanding of folding mechanisms and intermediate states.

The Complex Energy Landscape of miRFP709, a 41-Knotted Protein, Results in Its Irreversible Denaturation.

Knotted proteins have a unique topological feature with an open knot, and the physiological significance of these knots remains elusive. In addition, these proteins challenge our understanding of the protein folding process, and whether they retain their native state during unfolding/refolding cycles like other proteins is debated. Most folding studies on knotted proteins have been performed on 31 and 52 knots, monitoring the tryptophan fluorescence. In this study, we probe the unfolding/refolding of a 41-knotted protein, miRFP709, which can be monitored through near-infrared fluorescence in addition to the intrinsic tryptophan emission. miRFP709, upon chemical unfolding and refolding, folds back to a compact, non-native, stable structure that loses its ability to bind to the biliverdin ligand and fluoresce. The refolded protein retains its secondary structure but behaves like a molten-globule state with an exposed hydrophobic surface. The complex folding landscape of these proteins results in hysteresis between the folding and refolding curves. We propose that upon refolding, either an altered knot or an unknotted structure prevents the formation of the native knotted structure.

Role of data-driven regional growth model in shaping brain folding patterns.

The surface morphology of the developing mammalian brain is crucial for understanding brain function and dysfunction. Computational modeling offers valuable insights into the underlying mechanisms for early brain folding. Recent findings indicate significant regional variations in brain tissue growth, while the role of these variations in cortical development remains unclear. In this study, we explored how regional cortical growth affects brain folding patterns using computational simulation. We first developed growth models for typical cortical regions using machine learning (ML)-assisted symbolic regression, based on longitudinal real surface expansion and cortical thickness data from prenatal and infant brains derived from over 1000 MRI scans of 735 pediatric subjects with ages ranging from 29 postmenstrual weeks to 2 years of age. These models were subsequently integrated into computational software to simulate cortical development with anatomically realistic geometric models. We comprehensively quantified the resulting folding patterns using multiple metrics such as mean curvature, sulcal depth, and gyrification index. Our results demonstrate that regional growth models generate complex brain folding patterns that more closely match actual brains structures, both quantitatively and qualitatively, compared to conventional uniform growth models. Growth magnitude plays a dominant role in shaping folding patterns, while growth trajectory has a minor influence. Moreover, multi-region models better capture the intricacies of brain folding than single-region models. Our results underscore the necessity and importance of incorporating regional growth heterogeneity into brain folding simulations, which could enhance early diagnosis and treatment of cortical malformations and neurodevelopmental disorders such as cerebral palsy and autism.

Computer Folding of Parallel DNA G-Quadruplex: Hitchhiker's Guide to the Conformational Space.

Guanine quadruplexes (GQs) play crucial roles in various biological processes, and understanding their folding pathways provides insight into their stability, dynamics, and functions. This knowledge aids in designing therapeutic strategies, as GQs are potential targets for anticancer drugs and other therapeutics. Although experimental and theoretical techniques have provided valuable insights into different stages of the GQ folding, the structural complexity of GQs poses significant challenges, and our understanding remains incomplete. This study introduces a novel computational protocol for folding an entire GQ from single-strand conformation to its native state. By combining two complementary enhanced sampling techniques, we were able to model folding pathways, encompassing a diverse range of intermediates. Although our investigation of the GQ free energy surface (FES) is focused solely on the folding of the all-anti parallel GQ topology, this protocol has the potential to be adapted for the folding of systems with more complex folding landscapes.

Dynamic Analysis of Four-wing Butterfly Chaotic System

Abstract To further explore the dynamic behavior in high-dimensional chaotic systems, the complex four-wing butterfly folding phenomenon was discovered based on the Qi system. The results indicate that η will make the Qi system evolve from four vortex structure to a complex wing butterfly folding case. The complex four-wing butterfly folding system were analyzed using tools such as the phase trajectory, time-domain waveform, equilibrium point, bifurcation diagram, and maximum Lyapunov exponent spectrum. Finally, the synchronization control of the system was studied using adaptive control based on stability theory. The stability of the controller was proved using Lyapunov analysis. The results showed that the controller could achieve synchronization of the system in about 3 steps. The discovery of the phase structure will provide more means for the encryption application of Qi system.

Revealing the correlation between asymmetric structure and low thermal conductivity in Janus-graphene via machine learning force constant potential

Understanding the fundamental link between structure and functionalization is crucial for designing and optimizing functional materials, since different structural configurations could trigger materials to demonstrate diverse physical and chemical properties. However, the correlation between crystal structure and thermal conductivity (κ) remains unclear. In this study, taking two-dimensional (2D) carbon allotropes Janus-graphene and graphene as study cases, we utilize phonon Boltzmann transport equation combined with machine learning potential to thoroughly investigate the complex folding structure of pure sp2 hybridized Janus-graphene from the perspective of crystal structure, phonon modal resolved thermal transport, and atomic interactions, with the goal of identifying the underlying relationship between 2D geometry and κ. The results reveal that the folded structure in Janus-graphene causes strong symmetry breaking, significantly reduces phonon group velocities, increases phonon–phonon scattering, and ultimately leads to low κ. These findings enhance our understanding of how atomic structure folding affects thermal transport and the relationship between structure and functionalization.

Relationships between lobate debris aprons and lineated valley fill on Mars: Evidence for an extensive Amazonian valley glacial landsystem in Mamers Valles

We examine the characteristics and relationships of Lineated Valley Fill (LVF) and Lobate Debris Aprons (LDA) in Mamers Valles on Mars, a ∼950 km-long fretted valley at the dichotomy boundary. The relationships and distinctions between these glacial landforms are established by detailed analysis of LDA/LVF morphology, topography, and related features are assessed to understand their origin and modification. We document the transition from unconfined LDA to compressed and folded LVF and vice versa, implying that LDA and LVF are intimately related in morphology and mode of origin. Linear LDA dominate Mamers Valles, originating from alcoves, theater-like remnant crater rims, and tributary valleys, while circumferential LDA are arrayed around isolated mesas. Narrow valley areas display the convergence of lobes originating from either side, forming parallel linear ridges that deform into complex folds and become LVF, typically in a local and regional downvalley direction. In contrast, when LVF flows out of a topographically confined area, the material forms a piedmont-like LDA. Thus, local topography is the primary factor in determining whether a deposit will appear LVF-like, LDA-like, or have characteristics of both. Superimposed crater morphology and ground-penetrating radar data suggest the current presence of subsurface ice protected by ∼15–20 m of sublimation lag deposits, with minimal deformation and flow since superposed crater formation. Regional integration leads to the interpretation that the LDA-LVF exposures and ice entry points into the fretted valleys represent the waning stages of a more widespread regional Amazonian plateau glacial landsystem that occupied fretted terrain valleys formed earlier in the Late Noachian-Early Hesperian.

Distribution Characteristics of Trace Elements in Carboniferous–Permian Coal from the Western Margin of Ordos Basin: Emphasis on Their Complex Geological Genesis

The Carboniferous–Permian coal deposits in the western margin of the Ordos Basin are known for their unique geological characteristics and potential enrichment of trace elements; however, there have been limited studies on the complex geological genesis of these elements, hindering the development of effective strategies for mineral resource exploration in this region. This study aims to investigate the distribution characteristics of trace elements in Carboniferous–Permian coal from the western margin of Ordos Basin, focusing on their complex geological genesis using techniques such as optical microscopy, X-ray fluorescence spectrometry, and inductively coupled plasma mass spectrometry. The results show that the average maximum vitrinite reflectance values in the Helanshan coalfield, Zhuozishan coalfield, and Ningdong coalfield are 1.25%, 0.83%, and 0.69%, respectively. Compared with the world’s hard coals, Li and Ga in Carboniferous–Permian coal from the western margin of the Ordos Basin are mildly enriched (CC, concentration coefficients; 2 < CC < 5) or enriched (5 < CC < 10). On the basis of revealing the response of the geochemical characteristics of coal to the geological development of the basin, the composite genetic model of terrigenous clastic supply, fault structure, low-temperature hydrothermal fluid and coal metamorphism have been established in Carboniferous–Permian coal in the western margin of the Ordos Basin. In this complex genetic model, folds and faults are very well developed. Although the provenance may have provided sufficient detrital sources for the study area, frequent tectonic changes, denudation, or scour led to the loss of detrital supply, and the provenance did not ultimately cause the enrichment of elements in the study area. However, the widely developed fault structure provided channels for sulfur-containing hydrothermal fluids, and the increase in coal metamorphism resulted in the enrichment of trace elements in the Carboniferous–Permian coal in the western margin of the Ordos Basin.

Olfactory and gustatory chemical sensor systems in the African turquoise killifish: Insights from morphology

Smell and taste are extensively studied in fish species as essential for finding food and selecting mates while avoiding toxic substances and predators. Depending on the evolutionary position and adaptation, a discrete variation in the morphology of these sense organs has been reported in numerous teleost species. Here, for the first time, we approach the phenotypic characterization of the olfactory epithelium and taste buds in the African turquoise killifish (Nothobranchius furzeri), a model organism known for its short lifespan and use in ageing research. Our observations indicate that the olfactory epithelium of N. furzeri is organized as a simple patch, lacking the complex folding into a rosette, with an average size of approximately 600 µm in length, 300 µm in width, and 70 µm in thickness. Three main cytotypes, including olfactory receptor neurons (CalbindinD28K), supporting cells (β-tubulin IV), and basal cells (Ki67), were identified across the epithelium. Further, we determined the taste buds’ distribution and quantification between anterior (skin, lips, oral cavity) and posterior (gills, pharynx, oesophagus) systems. We identified the key cytotypes by using immunohistochemical markers, i.e. CalbindinD28K, doublecortin, and neuropeptide Y (NPY) for gustatory receptor cells, glial fibrillary acidic protein (GFAP) for supporting cells, and Ki67, a marker of cellular proliferation for basal cells. Altogether, these results indicate that N. furzeri is a microsmatic species with unique taste and olfactory features and possesses a well-developed posterior taste system compared to the anterior. This study provides fundamental insights into the chemosensory biology of N. furzeri, facilitating future investigations into nutrient-sensing mechanisms and their roles in development, survival, and ageing.

Aerodynamic Analysis and Simulation for a Z-Shaped Folding Wing UAV

The potential of folding wing unmanned aerial vehicles (UAVs) in enhancing the adaptability of complex missions is substantial. Analyzing the aerodynamic characteristics of these UAVs is vital for optimizing the design of their folding wing configuration and airfoil shape. In this study, a model of a Z-shaped folding wing UAV was established with the objective of enhancing UAV maneuverability. An integrated vortex lattice method (VLM) was employed to analyze the aerodynamic characteristics of the Z-shaped folding wing and numerical simulations were utilized to validate the obtained results, which prove the effectiveness of the integrated VLM in studying aerodynamic characteristics at a high angle of attack of the Z-shaped folding wing UAV. This is a new way to reduce computation time while maintaining accuracy to calculate such complex folding structures in high fidelity. Furthermore, the Z-shaped folding wing configuration demonstrates enhanced maneuverability at high angles of attack, and a Simulink flight simulation model based on the aerodynamic coefficients of the Z-shaped folding wing verifies this property. This analysis can properly predict the post-stall characteristics for the Z-shaped folding wing UAV to ensure the safety of the vehicle during flight.

Computational design of soluble and functional membrane protein analogues

De novo design of complex protein folds using solely computational means remains a substantial challenge1. Here we use a robust deep learning pipeline to design complex folds and soluble analogues of integral membrane proteins. Unique membrane topologies, such as those from G-protein-coupled receptors2, are not found in the soluble proteome, and we demonstrate that their structural features can be recapitulated in solution. Biophysical analyses demonstrate the high thermal stability of the designs, and experimental structures show remarkable design accuracy. The soluble analogues were functionalized with native structural motifs, as a proof of concept for bringing membrane protein functions to the soluble proteome, potentially enabling new approaches in drug discovery. In summary, we have designed complex protein topologies and enriched them with functionalities from membrane proteins, with high experimental success rates, leading to a de facto expansion of the functional soluble fold space.

Evaluating Performance of Different RNA Secondary Structure Prediction Programs Using Self-cleaving Ribozymes.

Accurate identification of the correct, biologically relevant RNA structures is critical to understanding various aspects of RNA biology since proper folding represents the key to the functionality of all types of RNA molecules and plays pivotal roles in many essential biological processes. Thus, a plethora of approaches have been developed to predict, identify, or solve RNA structures based on various computational, molecular, genetic, chemical, or physicochemical strategies. Purely computational approaches hold distinct advantages over all other strategies in terms of the ease of implementation, time, speed, cost, and throughput, but they strongly underperform in terms of accuracy that significantly limits their broader application. Nonetheless, the advantages of these methods led to a steady development of multiple in silico RNA secondary structure prediction approaches including recent deep learning-based programs. Here, we compared the accuracy of predictions of biologically relevant secondary structures of dozens of self-cleaving ribozyme sequences using seven in silico RNA folding prediction tools with tasks of varying complexity. We found that while many programs performed well in relatively simple tasks, their performance varied significantly in more complex RNA folding problems. However, in general, a modern deep learning method outperformed the other programs in the complex tasks in predicting the RNA secondary structures, at least based on the specific class of sequences tested, suggesting that it may represent the future of RNA structure prediction algorithms.

Numerical modelling of different airbag folding patterns and their influence on occupant responses in frontal vehicle impact

This paper presented a procedure for airbag folding for the application in occupant safety studies and analysed the influence of different airbag folding patterns on the occupant severity in frontal impact. Airbags were folded in two patterns: zig-zag and top-roll, using two folding techniques: Initial Metric Method and Explicit Folding. The explicit folding was found to be more expensive in terms of preparation time. However, this approach provided more control over the whole folding process. The Initial Metric Method was more robust, however, it’s hard to apply for complex folding patterns. Deployments of airbags were validated against experimental data of pendulum tests. Those airbag models were applied to 2006 Ford F250 pickup truck. This vehicle was used for simulations of frontal vehicle impact where the 50th male Hybrid III crash test dummy was an occupant. Results of this simulation were compared with an actual test with a similar vehicle, under the same impact conditions. Results showed the head and chest accelerations were lower for top-roll folded airbag cases, however neck normal forces were higher compared to zig-zag folded airbag. The internal pressure in the early stage of deployment was 33% higher for the top-roll folded airbags.

The power of modern 3-D visualization of high-resolution terrain models in geologic mapping: Complex fold geometries revealed by 3-D mapping in the Panamint metamorphic complex, eastern California, USA

We use structure from motion–multiview stereo (SM) terrain models developed from ground-based images and images acquired from uncrewed aircraft (aka drones) as a base map for three-dimensional (3-D) mapping on the walls of a deep canyon in the Panamint Range of eastern California, USA. The ability to manipulate the 3-D model with views from arbitrary look directions and broad scale range revealed structures that were invisible to conventional two-dimensional (2-D) mapping because of both the scale of the structures and their exposure on vertical to near-vertical cliff faces. The analysis supports field evidence for four phases of ductile deformation, with only one of the younger phases documented on early geologic maps of the area. The oldest deformational event (D1) produced the main metamorphic fabric and pre-dates Late Cretaceous plutons. This deformation produced a 200–250-m-thick high-strain zone localized along marbles at the top of the Kingston Peak Formation and lower Noonday Formation. Geometric analysis from the model suggests strongly that large sheath folds at scales of 100–300 m are developed within these marbles. Large measured finite strains indicate displacement across this apparent shear zone of at least 4–5 km and displacements of tens of kilometers are allowable, yet the structure is invisible to conventional mapping because the high-strain zone is stratabound. The main fabric shows two clear overprints and a third that is likely an even younger deformation. D2 and D3 generated tight to close, recumbent folds and open to tight, upright folds, respectively, both folding the main foliation with localized development of crenulation cleavages axial planar to the folds. An additional overprint shows no clear cross-cutting relationship with D2 or D3 fabrics and could be a manifestation of either of those events, although the deformation is spatially limited to a narrow shear zone beneath a brittle, dextral-normal fault with the same kinematics as a mylonitic fabric in a Cretaceous granite in the footwall. This observation suggests an extensional, core complex–style deformation to produce this structure. We suggest that 3-D mapping has the potential to revolutionize geologic mapping studies, particularly where steep topography provides 3-D views that are virtually invisible on conventional 2-D maps. Previously bewildering geologic puzzles can be solved by the ability to visualize large cliff exposures from arbitrary angles and map the features in true 3-D at resolutions to the centimeter level. Although this study emphasized intermediate scales imaged by a drone, our methods here are easily extended to larger scales using a crewed aircraft for imaging. We suggest these methods should be used routinely in frontier areas with steep terrain where aviation is already in use for access, but the methods can be employed anywhere steep terrain “hides” major rock exposures on conventional 2-D maps.

Lithologic Relationship and Structural Features of Crystalline Rocks in Ekiti, Southwestern Nigeria: A Geological Report on the Basement Complex

This paper investigates and report field relationship and structural features of the basement rocks in Ekiti, southwestern Nigeria. Systematic geological mapping reveals that Ekiti is underlain by migmatite-gneiss, quartz schist, quartzite, granite, and charnockite. These lithologies were intruded by series of aplite, dolerite, and pegmatite dykes. Structural deformations attributable to polycyclic orogenic activities manifested in all the basement rocks. Migmatite and its gneissic subunits form the country rock and exhibits complex folds, abundant quartz veins and haphazardly emplaced dykes. Foliation and lineament are oriented N-S, strike values range between N5oE -N18oE with westerly dip of 72º to 84º. Quartzite and quartz schist exhibits distinctive joint and fracture system which runs parallel to one another while minor ones are oblique. The polymetamorphic terrain has older tectonic fabrics massively overprinted by younger ones. The gneiss units are porphyroblastic to granoblastic, xenoliths of varying sizes are embedded within the granite bodies indicating the magmatic liquid was forcefully injected into the country rock. The presence of parallel fractures in fine-grained granite indicate Ekiti area is a shear zone. The occurrence of dykes of heterogenous lithologies on single granite outcrop suggests pluton assemblage occur as discrete pulses during the intrusive phases. Contact relationship indicate age decreases from migmatite to granite-charnockite to microgranite while dykes are the youngest. Deformation, metamorphism, and intrusive phases are the dominant geodynamic features of Ekiti area while the regional and local changes in rocks resulted from environmental constraints of pressure, temperature, and fluid activity. The plutonic activities which accompanied orogenic events resulted in deformation which is genetically related to evolution and geodynamic setting of Ekiti area.

Investigating subduction orogeny dynamics of Manabhum high in the Upper Assam foreland basin, NE India by geophysical data-based modelling

The Manabhum structural high, situated on the southern bank of the Brahmaputra River in the foreland part of the Upper Assam basin, is characterised by an elongated NNW-SSE direction of the fold axis. This study utilises seismic and satellite gravity data to model subsurface geological cross-sections across the Manabhum structure, providing insights into the presence of high-density material at the basement level, supported by the distribution of ophiolites at varying depths. The Manabhum, a compressional structure controlled by the complex folding involved in the Mishmi Hills and Naga Schuppen belt, subjected to compression at different stages, presents an excellent opportunity to understand subduction orogeny involving the collision between the Indian plate and the Tethys oceanic lithosphere subducting beneath the Myanmar continental lithosphere.

DNA-Mediated Peptide Assembly into Protein Mimics.

The design of new protein structures is challenging due to their vast sequence space and the complexity of protein folding. Here, we report a new modular DNA-templated strategy to construct protein mimics. We achieve the spatial control of multiple peptide units by conjugation with DNA and hybridization to a branched DNA trimer template followed by covalent stapling of the preorganized peptides into a single unit. A library of protein mimics with different lengths, sequences, and heptad registers has been efficiently constructed. DNA-templated protein mimics show an α-helix or coiled-coil motif formation even when they are constructed from weakly interacting peptide units. Their attached DNA handles can be used to exert dynamic control over the protein mimics' secondary and tertiary structures. This modular strategy will facilitate the development of DNA-encoded protein libraries for the rapid discovery of new therapeutics, enzymes, and antibody mimics.

Middle Miocene renewed subduction of arabian-eurasian plates: Implications for convergent tectonic mechanisms, tectonically-induced fluid overpressures, and sediment recycling dynamics

The complex interplay between thrust wedge deformation, tectonically-induced fluid overpressures, and the complex phases of wedge-top sedimentary depositional systems in active plate convergent margins presents a formidable challenge. The offshore Makran accretionary wedge (MAW) is the world's largest, formed by the convergence of Arabian plate underneath Eurasian plate in the Early Cretaceous, followed by Middle Miocene renewed subduction. In this research, geological and geophysical constraints derived from seismic and borehole stratigraphy, seismic attributes, depth structural maps, isopach maps and 3D structural geological models reveal that Middle Miocene renewed subduction controls thrust wedge deformation. Additionally, it influences deep fluid overpressure and the deformational pattern of wedge-top sedimentary depositional systems. The seismic data analysis suggested that the basement pre-kinematic Himalayan turbidities depositional system (HTDs) have been tectonically incorporated into the accretionary wedge by Middle Miocene renewed subduction, which gave rise to complex folding and N-dipping imbricate thrusting features. These N-dipping imbricate thrust faults initiated sediment underplating and served as major structural pathways for deep fluid overpressure migration, resulting in the formation of fluid escape pipes. The fluid escape pipes exhibit conical and bifurcating geometries with inclination angles of approximately 73°, 90°, and 100°, signifying the upward migration of deep overpressured fluids. Furthermore, the Middle Miocene to Pliocene syn-kinematic piggyback and growth depositional system (PGDs) show progressive thickening (Max ∼3600 m) towards onshore MAW. It lies unconformable above the pre-kinematic HTDs and carries valuable sedimentation records, growth stratal patterns, onlap terminations, and truncations against growing structures, revealed the timing and spatial deformation of thrust faults in 3D space. In contrast, the Pleistocene to Recent post-kinematic progradational depositional system (PDs) exhibits clinoforms marked by top-lapping, on-lapping, and down-lapping reflection, which are primarily controlled by sediment recycling dynamics and sea level change since Pleistocene. It shows progressive thickening (Max ∼1800m) towards the Makran subduction zone and lies unconformably above the syn-kinematic PGDs. Abridging the analyses, the tectonic reconstruction and deformation mechanisms model shows four phases, e.g. (1) initiation of subduction and accretionary wedge formation in Eocene, (2) N-dipping imbricate thrust faults and deep fluid overpressure triggered by Middle Miocene renewed subduction, (3) development of piggyback basins and growth stratal geometries in Middle Miocene to Pliocene, (4) thrust deformation ceases and development of progradational depositional system.

Diversity Analysis of Catechol 2, 3-dioxygenase in POPs Metabolizing Bacteria using In-silico Approach

The persistent nature of persistent organic pollutants (POPs), lipophilicity, and volatility has resulted in their high concentration, not only in environmental resources but also in living organisms. Their complete removal is possible only by mineralization using enzyme-based strategies. Catechol 2, 3-dioxygenase is reportedly involved in the degradation of a wide variety of POPs. This study was designed to determine the diversity of this enzyme among highly efficient bioremediating bacteria. Seven bacteria belonging to genera acinetobacter, pseudomonas, burkholderia, stutzerimonas, and paraburkholderia were targeted. Sequences of the enzyme were retrieved from Uniprot database and analyzed via ProtParam, CELLU, and SOPMA tools and AlphaFold database. The enzyme was found to be cytoplasmic. The physicochemical properties of the enzyme were recorded as pI 4.75 – 5.50, aliphatic index (73.41 – 88.55), instability index (24.98 – 43.37), and GRAVY (-0.209 – 0.511). The secondary structure attributes were recorded to be α-helix (30.13 – 37.30), extended strand (18.27 – 21.54), β-turn (5.14 – 6.95), and random coil (38.33 – 42.95). All the proteins showed complex folding except in Pseudomonas sp strain EST1001. These properties may be exploited during the selection, purification, manipulation, and cloning of the enzyme for efficient bioremediation.

Dynamic physical-geological model of complex folding according to paleomagnetic data

The purpose of the study is to evaluate the possibility of using the mathematical apparatus of spatial rotations to solve the determination issues of the nature and age of natural remanent magnetization vectors under complex tectonic dislocations of rocks manifested in the areas of modern folded structures of platform framing. Dynamic physical-geological models are shown to be useful when forming complex tectonic-magmatic systems. Mathematical (computer) modeling in comparison with other methods of studying geological processes features higher accuracy, cost-effectiveness and unambiguity of data interpretation in achieving the set goal. On the basis of dynamic physical-geological model of complex folding, an algorithm is developed and the results of mathematical modeling of natural remanent magnetization vectors are given for solving direct and inverse problems on correct application of the fold test under complex rock deformations. The dynamic physical-geological model of complex folded structure formation shows that the characteristic natural remanent magnetization vectors identified in laboratory experiments on demagnetization can be used to determine their age relative to the folding stages, and, depending on this, fully or partially restore the number, sequence and direction of tectonic dislocations. This will enable us to solve the mineralogenic and geodynamic problems of folded region development more effectively on the basis of paleomagnetic data.