Analogous Studies Research Articles

Experimental use of self-affirmation to manage self-concept threat in a simulated intrusive thought paradigm

Introduction: Based on the commonality in cognitive clinical theories of OCD and cognitive dissonance theory regarding threat to self (Wright & Riskind, 2021), this preliminary study investigated whether (1) OCD-related distress catalyzed by ego-dystonic intrusive unwanted thoughts is akin to cognitive dissonance, and (2) distress and negative appraisals of the simulated intrusive thoughts can be alleviated by a values-based self-affirmation exercise developed in the dissonance literature. Methods: Nonclinical college students (N = 93) were presented with a simulated intrusive thought induction. After rating their distress from writing the simulated intrusion, they were randomly assigned to one of four conditions: neutralization used in the clinical literature, a values-based self-affirmation task, a combination of neutralization followed by self-affirmation, or a control condition. Results: The results revealed that the group that combined a neutralizing exercise followed by a self-affirmation exercise displayed a significantly greater decrease in dissonance-like distress and negative appraisals of the simulated intrusion than the other three groups. The groups that received self-affirmation alone or neutralization alone did not appear to reduce distress on their own. The combined group and other groups did not show rebound distress. Discussion: These novel analogue study findings help to bring cognitive clinical models of OCD and cognitive dissonance theory closer together. Moreover, they introduce the possibility that self-affirmation procedures could provide useful secondary ways to augment current OCD treatment protocols.

Design, Synthesis, Drug-Likeness, anti-Inflammatory, Antimicrobial Activity, and Molecular Docking Studies of Pyrimidine Analogs

Grounded on medicinal significances of pyrimidines, herein we are reporting initially the design and synthesis of 1-(2-benzylthiopyrimidin-4-yl)-benzimidazol-2-thioacetic acid/thioacetate 2(a, b), 1-(2-benzylthiopyrimidin-4-yl)-3,5 diaryl-2-pyrazoline (3) and 1-(2-benzylthiopyrimidin-4-yl)-3,5-dimethylpyrazole (4). In silico screening such as molecular docking studies of these compounds with inflammation-causing enzyme cyclooxagenase-2 (COX-2) suggests that only 2a has shown a strong affinity for the COX-2 (−9.0 kcal/mol) and forms three hydrogen bonds with active amino acid residues in comparison with standard anti-inflammatory drugs celecoxib (-8.8 kcal/mol) and indomethacin (-7.7 kcal/mol). However, in vitro, anti-inflammatory activity reveals that IC50 of compound 2a was 3.5 μM compared to celecoxib with IC50 of 0.65 μM. Also, 2a has displayed comparable activity of standard antibacterial drug gentamycin against E. coli with MIC 6.5 μM. Furthermore, the drug-likeness of potent compounds was studied using Swiss ADME and Mol inspiration software. All the compounds showed optimum drug-likeness without violating Lipinski’s rule of five. With our best observation and based on comparative SAR studies of these analogs with celecoxib and indomethacin, we conclude that compound 2a could develop as a therapeutically potent anti-inflammatory agent.

A two-level optimisation approach for underground natural ventilation based on CFD and building energy simulations

Natural ventilation is a historical and promising passive design for conserving building energy. However, a noticeable scarcity exists in design strategies and academic studies on underground natural ventilation. This study introduces a two-level optimisation approach for underground natural ventilation, considering form and environmental characteristics. At the initial level, computational fluid dynamics simulations were employed to quantify and visualise the momentary ventilation performances of various passive strategies. These simulations also furnished precise wind pressure coefficients. Subsequently, at the second level, this study predicted the annual energy savings of the proposed prototype by integrating an airflow network model with building energy simulations. To adapt design parameters, sensitivity analysis and multi-objective optimisation techniques were applied. These numerical models underwent validation against measured data from analogous studies. The results reveal that the ‘inlet buried pipe + outlet shaft’ led to a 6.9 % reduction in energy consumption for heating, ventilation, and air-conditioning in underground hybrid ventilation compared to underground mechanical ventilation. Moreover, it achieved a 28.8 % decrease compared to aboveground mechanical ventilation. Optimising air temperatures following climate, soil conditions, and building characteristics is imperative, aligning with design standards. This study contributes a quantitative and visual approach to support underground natural ventilation and addresses the limitations of empirical designs, providing a foundation for future research and practical applications.

Role of Explicit Solvation in Computational Modeling of Chemical Reactions: Mechanism of Cu(I) Transfer Between Thiolate-Based Chelators in Water.

Solvation plays important roles in controlling the thermodynamic and kinetic aspects of chemical reactions. The conventional approaches to treat solvation via electronic structure methods are likely to become inadequate, when the reacting solutes have strong electrostatic and hydrogen bonding interactions with the solvent and undergo significant structural changes during the course of the reaction. In this article, we present evidence of such solvent and structural effects in the computational study of the Cu(I) transfer reaction between thiolate-based chelators dithiobutylamine (DTBA) and dithiotheritol (DTT) in water, inspired from biological copper trafficking phenomena. We propose a general solution to the problem by combining classical molecular dynamics (MD) simulations of the bulk system and static quantum chemistry calculations. The fluctuating solvation shell was estimated from MD, and energetics was assessed by averaging QM energies of a series of molecular clusters constructed from the MD snapshots. Applying this approach, we propose a reaction pathway with estimates of relative intermediate stabilities and barriers, which suggest the overall reaction to be reversible in nature and likely to go through both two and three coordinated intermediates, confirming previous studies of similar protein analogues. An interesting fact that emerged from our study was the strong indication that the rate-determining step is the deprotonation of initial thiol bound Cu(I) complex, without involving any Cu(I)-S bonds. The proposed method will lead to a better treatment of solvations, and these mechanistic insights will aid our understanding of biological copper(I) trafficking.

Immature porcine cortical bone mechanical properties and composition change with maturation and displacement rate

Computational models of mature bone have been used to predict fracture; however, analogous study of immature diaphyseal fracture has not been conducted due to sparse experimental mechanical data. A model of immature bone fracture may be used to aid in the differentiation of accidental and non-accidental trauma fractures in young, newly ambulatory children (0–3 years). The objective of this study was to characterize the evolution of tissue-level mechanical behavior, composition, and microstructure of maturing cortical porcine bone with uniaxial tension, Raman spectroscopy, and light microscopy as a function of maturation. We asked: 1) How do the monotonic uniaxial tensile properties change with maturation and displacement rate; 2) How does the composition and microstructure change with maturation; and 3) Is there a correlation between composition and tensile properties with maturation? Elastic modulus (p < 0.001), fracture stress (p < 0.001), and energy absorption (p < 0.014) increased as a function of maturation at the quasistatic rate by 110%, 86%, and 96%, respectively. Fracture stress also increased by 90% with maturation at the faster rate (p = 0.001). Fracture stress increased as a function of increasing displacement rate by 28% (newborn p = 0.048; 1-month p = 0.004; 3-month p= < 0.001), and fracture strain decreased by 68% with increasing displacement rate (newborn p = 0.002; 1-month p = 0.036; 3-month p < 0.001). Carbonate-to-phosphate ratio was positively linearly related to elastic modulus, and fracture stress was positively related to carbonate-to-phosphate ratio and matrix maturation ratio. The results of this study support that immature bone is strain-rate dependent and becomes more brittle at faster rates, contributing to the foundation upon which a computational model can be built to evaluate immature bone fracture.

Simulation and feasibility assessment of a green hydrogen supply chain: a case study in Oman.

The transition to sustainable energy is crucial for mitigating climate change impacts. This study addresses this imperative by simulating a green hydrogen supply chain tailored for residential cooking in Oman. The supply chain encompasses solar energy production, underground storage, pipeline transportation, and residential application, aiming to curtail greenhouse gas emissions and reduce the levelized cost of hydrogen (LCOH). The simulation results suggest leveraging a robust 7 GW solar plant. Oman achieves an impressive annual production of 9.78 TWh of green hydrogen, equivalent to 147,808 tonnes of H2, perfectly aligning with the ambitious goals of Oman Vision 2040. The overall LCOH for the green hydrogen supply chain is estimated at a highly competitive 6.826 USD/kg, demonstrating cost competitiveness when benchmarked against analogous studies. A sensitivity analysis highlights Oman's potential for cost-effective investments in green hydrogen infrastructure, propelling the nation towards a sustainable energy future. This study not only addresses the pressing issue of reducing carbon emissions in the residential sector but also serves as a model for other regions pursuing sustainable energy transitions. The developed simulation models are publicly accessible at https://hychain.co.uk , providing a valuable resource for further research and development in the field of green hydrogen supply chains.

MAPATON 2023: implementing a tool for the analysis of forest fire zones in Arequipa

The "Mapaton 2023," a collaborative initiative by the Peruvian Space Agency, Paraguayan Space Agency, and AMERIGEOS, introduces an innovative approach to analyze fire-prone areas in Arequipa, a pivotal endeavor for disaster prevention. Focused on the provinces of Arequipa and Caylloma, recent studies identified over 1,500 affected hectares by forest fires, emphasizing the urgency of employing satellite images and geospatial analysis techniques. Leveraging Landsat 8 satellite imagery, the research calculated indices, including the normalized difference vegetation index (NDVI) for vegetation analysis and the differenced normalized burn ratio (dNBR) for fire severity assessment. Results revealed varying impacts, with some areas exhibiting increased vegetation and others displaying significant damage. The use of ArcGIS online facilitated the presentation of geospatial data, emphasizing the utility of remote sensing in comprehending and addressing forest fires. Drawing insights from analogous studies in Mexico and the Amazon, this research underscores the importance of remote sensing and geospatial analysis in informing preventive measures against wildfires. The findings, crucial for environmental management, are recommended for sharing with relevant authorities, and the continued use of diverse satellite imagery sources is encouraged to enhance accuracy in monitoring and mitigating forest fires.

Impact of immunotherapy time-of-day infusion on survival and immunologic correlates in patients with metastatic renal cell carcinoma: a multicenter cohort analysis

BackgroundRecent studies have demonstrated that earlier time-of-day infusion of immune checkpoint inhibitors (ICIs) is associated with longer progression-free survival (PFS) and overall survival (OS) among patients with metastatic melanoma and...

Feasibility study of Glucagon-like peptide-1 analogues for the optimization of Outcomes in obese patients undergoing AbLation for Atrial Fibrillation (GOAL-AF) protocol

BackgroundCatheter ablation for atrial fibrillation is recommended for symptomatic patients after failed medical therapy. Ablation has a higher failure rate in obese patients, and both the prevalence of atrial fibrillation and obesity are increasingly globally. The outcome of ablation can be improved if obese patients can achieve goal-oriented weight reduction prior to ablation. Conventional weight loss strategies, however, can be difficult to access and can delay ablation, thereby risking a lower chance of maintaining sinus rhythm. Effective weight-loss medications, such as the glucagon-like peptide inhibitor-1 drugs, offer the potential for incremental impact on weight loss over a shorter period of time as a bridging therapy. The aim of this study is to assess the feasibility of using liraglutide, a glucagon-like peptide inhibitor-1, in producing weight loss in obese patients before catheter ablation.MethodsThe study is an open-label, uncontrolled, prospective single-centre feasibility study of daily liraglutide injections in the treatment of obese patients for at least 13 weeks before and 52 weeks after AF ablation. Adult patients with symptomatic AF whose body mass index ≥ 30 will be recruited from those planning to undergo ablation. Feasibility will be determined based on the recruitment rate, adherence to the medication, and the amount of weight loss achieved over the study period. Exploratory outcomes include changes in atrial structure, function, and fibrosis with weight loss evaluated by cardiac magnetic resonance imaging, electroanatomic mapping, and patient-reported outcome measure.DiscussionThis study will allow us to determine whether the use of liraglutide in obese patients with atrial fibrillation undergoing ablation is feasible with adequate recruitment. The additional information on adherence and average weight loss over the study period will inform the design of a future definitive randomized controlled trial.Trial registrationClinicalTrials.gov (NCT05221229). Registered on 2 February 2022.Trial fundingMetchley Park Medical Society and University of Birmingham Starter Fellowship, British Heart Foundation Accelerator Grant, Abbott Investigator-Initiated Study Grant.

High-resolution digital outcrop model of the faults, fractures, and stratigraphy of the Agardhfjellet Formation cap rock shales at Konusdalen West, central Spitsbergen

Abstract. Structure-from-motion (SfM) photogrammetry has become an important tool for the digitalisation of outcrops as digital outcrop models (DOMs). DOMs facilitate the mapping of stratigraphy and discontinuous structures like folds, faults, and fractures from the centimetre to kilometre scale. With pristine, treeless exposures, the outcropping strata in Svalbard, Arctic Norway, hold exceptional potential for analogue studies and are ideally suited for the acquisition of high-resolution DOMs. Here, we present the acquisition, processing, and integration of the Konusdalen West digital model data set, comprising both DOM and derived digital terrain model (DTM) data. Drone-based image acquisition took place over 2 weeks in July and August 2020. The Konusdalen West DOM and DTM cover a 0.12 km2 area and span a 170 m elevation difference. The DOM covers the upper two-thirds of the mudstone-dominated Late Jurassic–Early Cretaceous Agardhfjellet Formation. The Agardhfjellet Formation and its time equivalents are regional cap rocks for CO2 sequestration and petroleum accumulations on the Norwegian Continental Shelf. A total of 15 differential GNSS control points were used to georeference and quality assure the digital data assets, 5 of which function as reference checkpoints. SfM processing of 5512 acquired images resulted in high-confidence, centimetre-scale resolution point clouds, textured mesh (DOM), tiled model, orthomosaics, and a DTM. The confidence-filtered dense cloud features an average inter-point distance of 1.57 cm and has an average point density of 3824.9 points per metre. The five checkpoints feature root mean square errors of 2.0 cm in X, 1.3 cm in Y, 5.2 cm in Z, and 5.7 cm in XYZ. Increased confidences and densities are present along the western flank of the Konusdalen West outcrop, where a fault fracture network in mudstone-dominated strata is best exposed and photographed most extensively. Top and side view orthomosaics feature maximum resolutions of 8 mm per pixel, enabling the mapping of faults, formation members, marker beds, fractures, and other sub-centimetre features. Additional structural measurements and observations were taken in June 2021 to place the data in the geological context. Data described in this paper can be accessed at Norstore under https://doi.org/10.11582/2022.00027 (Betlem, 2022b).

Point- and contact-symmetry pseudogroups of dispersionless Nizhnik equation

Applying an original megaideal-based version of the algebraic method, we compute the point-symmetry pseudogroup of the dispersionless (potential symmetric) Nizhnik equation. This is the first example of this kind in the literature, where there is no need to use the direct method for completing the computation. The analogous studies are also carried out for the corresponding nonlinear Lax representation and the dispersionless counterpart of the symmetric Nizhnik system. We also first apply the megaideal-based version of the algebraic method to find the contact-symmetry (pseudo)group of a partial differential equation. It is shown that the contact-symmetry pseudogroup of the dispersionless Nizhnik equation coincides with the first prolongation of its point-symmetry pseudogroup. We check whether the subalgebras of the maximal Lie invariance algebra of the dispersionless Nizhnik equation that naturally arise in the course of the above computations define the diffeomorphisms stabilizing this algebra or its first prolongation. In addition, we construct all the third-order partial differential equations in three independent variables that admit the same Lie invariance algebra. We also find a set of geometric properties of the dispersionless Nizhnik equation that exhaustively defines it.

Psychometric properties of the Japanese version of the standardised assessment of personality abbreviated scale.

This study was undertaken to translate the Standardised Assessment of Personality - Abbreviated Scale (SAPAS) into Japanese and to evaluate its validity and reliability. SAPAS is one of the most rapid tools for assessing personality disorder (PD) and has excellent sensitivity and good specificity, whereas other PD assessment tools require such a significant investment of time that they are infeasible for large surveys or routine clinical practice. Customary assessment in clinical practice ideally incorporates screening for PD, as it is associated with a substantial public health burden, including premature mortality and increased health service utilization. Furthermore, PD's status as a key prognostic variable of mental disorders also drives PD screening. While SAPAS has been translated into several languages, there has been no Japanese version. Therefore, we translated SAPAS into Japanese (SAPAS-J) and evaluated its reliability and validity. Study 1 recruited undergraduates to reveal its test-retest reliability. Although its internal consistency was not high, since the intent of the original SAPAS was to assess the broad character of personality disorder with the fewest possible items, minimal correlations between items were reasonable. We tested two factorial models, the single-factor model and the higher-order-single-factor model, and the latter offered better fitting. This higher-order model contained a three-factor structure corresponding to clusters described in DSM-5. It measures general PD traits as a common higher-order latent variable comprising those factors. Correlations of SAPAS-J with the much longer PD screening questionnaire in Study 1 and depressive and anxiety symptoms in Study 2 from the general population support its validity. Although validation for the clinical use of SAPAS-J is limited, our research with non-clinical populations demonstrated sufficient validity to justify its use in the context of psychopathological analog research. Since PD is understood as a continuum, the severity of which is distributed dimensionally, the analog study recruiting from the general population and attempting to reveal psychopathological mechanisms of PD is meaningful.

Chemical Epigenetic Regulation Secondary Metabolites Derived from Aspergillus sydowii DL1045 with Inhibitory Activities for Protein Tyrosine Phosphatases.

Protein tyrosine phosphatases (PTPs) are ubiquitous in living organisms and are promising drug targets for cancer, diabetes/obesity, and autoimmune disorders. In this study, a histone deacetylase inhibitor called suberoylanilide hydroxamic acid (SAHA) was added to a culture of marine fungi (Aspergillus sydowii DL1045) to identify potential drug candidates related to PTP inhibition. Then, the profile of the induced metabolites was characterized using an integrated metabolomics strategy. In total, 46% of the total SMs were regulated secondary metabolites (SMs), among which 20 newly biosynthesized metabolites (10% of the total SMs) were identified only in chemical epigenetic regulation (CER) broth. One was identified as a novel compound, and fourteen compounds were identified from Aspergillus sydowii first. SAHA derivatives were also biotransformed by A. sydowii DL1045, and five of these derivatives were identified. Based on the bioassay, some of the newly synthesized metabolites exhibited inhibitory effects on PTPs. The novel compound sydowimide A (A11) inhibited Src homology region 2 domain-containing phosphatase-1 (SHP1), T-cell protein tyrosine phosphatase (TCPTP) and leukocyte common antigen (CD45), with IC50 values of 1.5, 2.4 and 18.83 μM, respectively. Diorcinol (A3) displayed the strongest inhibitory effect on SHP1, with an IC50 value of 0.96 μM. The structure-activity relationship analysis and docking studies of A3 analogs indicated that the substitution of the carboxyl group reduced the activity of A3. Research has demonstrated that CER positively impacts changes in the secondary metabolic patterns of A. sydowii DL1045. The compounds produced through this approach will provide valuable insights for the creation and advancement of novel drug candidates related to PTP inhibition.

MicroCT and Histological Analysis of Clot Composition in Acute Ischemic Stroke : AComparative Study of MT-Retrieved Clots and Clot Analogs.

Assessing clot composition on prethrombectomy computed tomography (CT) imaging may help in stroke treatment planning. In this study we seek to use microCT imaging of fabricated blood clots to understand the relationship between CT radiographic signals and the biological makeup. Clots (n = 10) retrieved by mechanical thrombectomy (MT) were collected, and 6clot analogs of varying RBC composition were made. We performed paired microCT and histological image analysis of all 16clots using aScanCo microCT 100 (4.9 µm resolution) and standard H&E staining (imaged at 40×). From these data types, first order statistic (FOS) radiomics were computed from microCT, and percent composition of RBCs (%RBC) was computed from histology. Polynomial and linear regression (LR) were used to build statistical models based on retrieved thrombus microCT and %RBC that were evaluated for their ability to predict the %RBC of clot analogs from mean HU. Correlation analyses of microCT FOS with composition were completed for both retrieved clots and analogs. The LR model fits relating MT-retrieved clot %RBC with mean (R2 = 0.625, p = 0.006) and standard deviation (R2 = 0.564, p < 0.05) in HUs on microCT were significant. Similarly, LR models relating analog histological %RBC to analog protocol %RBC (R2 = 0.915, p = 0.003) and mean HUs on microCT (R2 = 0.872, p = 0.007) were also significant. When the LR model built using MT-retrieved clots was used to predict analog %RBC from mean HUs, significant correlation was observed between predictions and actual histological %RBC (R2 = 0.852, p = 0.009). For retrieved clots, significant correlations were observed for energy and total energy with %RBC and %FP (|R| > 0.7, q < 0.01). Analogs further demonstrated significant correlation between FOS energy, total energy, variance and %WBC (|R| > 0.9, q < 0.01). MicroCT can be used to build models that predict AIS clot composition from routine CT parameters and help us to better understand radiomic signatures associated with clot composition and first pass outcomes. In future work, such observations can be used to better infer clot composition and inform thrombectomy prognostics from pretreatment CTs.

Global Alfvénic modes excitation in ohmic tokamak plasmas following magnetic reconnection events

A possible triggering mechanism of Alfvén waves (AWs) in tokamak plasmas, based on localized perturbations induced by magnetic reconnection events, is discussed in the framework of nonlinear viscoresistive 3D magnetohydrodynamics (MHD) modeling. Numerical simulations are performed with the SpeCyl code (Cappello and Biskamp 1996 Nucl. Fusion 36 571) that solves the equations of the viscoresistive MHD model in cylindrical geometry. We investigate a ohmic tokamak configuration where the m = 1, n = 1 internal kink mode (m is the poloidal mode number and n is the toroidal mode number) undergoes a complete reconnection process. An in-depth investigation of the process shows a spatio-temporal correlation between the velocity perturbations associated with the reconnection and the excitation of the shear AW in the core region and the global Alfvén eigenmodes, both with dominant m = 1, n = 0 periodicity. In particular they are observed to emanate from the outflow cones of the reconnection layer associated with the internal kink. The excitation mechanism described in this paper could explain the observations of Alfvénic fluctuations in the absence of energetic ions in several tokamak experiments documented in the literature and could contribute to AWs excitation in general, even in the presence of fast particles. This result shares similarities with analogous study in reversed-field pinch (RFP) configuration (Kryzhanovskyy et al 2022 Nucl. Fusion 62 086019) where AWs were found to be excited by the RFP sawtoothing.

Omniligase-1-Mediated Phage-Peptide Library Modification and Insulin Engineering.

Chemical and enzymatic modifications of peptide-displayed libraries have been successfully employed to expand the phage display library. However, the requirement of specific epitopes and scaffolds has limited the scope of protein engineering using phage display. In this study, we present a novel approach utilizing omniligase-1-mediated selective and specific ligation on the phage pIII protein, offering a high conversion rate and compatibility with commercially available phage libraries. We applied this method to perform high-throughput engineering of insulin analogues with randomized B chain C-terminal regions. Insulin analogues with different B chain C-terminal segments were selected and exhibited biological activity equivalent to that of human insulin. Molecular dynamics studies of insulin analogues revealed a novel interaction between the insulin B27 residue and insulin receptor L1 domain. In summary, our findings highlight the potential of omniligase-1-mediated phage display in the development and screening of disulfide-rich peptides and proteins. This approach holds promise for the creation of novel insulin analogues with enhanced therapeutic properties and exhibits potential for the development of other therapeutic compounds.

Parameters Measurement and Secrecy Diversity Analysis for Physical Layer Security in WSNs using Projection Pursuit Gaussian Process Regression

Wireless sensor networks are specialized networks, geographically dispersed monitors that keep track of environmental external factors and conduct the collected information to a centralized opinion. The rapid growth of wireless sensor networks and its connected have pushed the saturation level of the communication. Moreover, the information passed is prone to the attacks and hence researchers have considered these as crucial factors in wireless sensor networks. Physical layer security is the one of the main approaches to ensure the secrecy of wireless sensor networks and has been attained with several encryption and signal processing approach. In our approach we propose a novel Projection Pursuit Gaussian Process regression (PPGPR) technique to analyze the diverse secrecy of physical layer in wireless sensor networks. The proposed approach is utilized to safeguard the sensitive data with secured physical layer. Simulations are performed and made an analogous study with state-of-art works to ensure the secrecy of the proposed work. The proposed work can use for the secured wireless communication with higher secrecy capacity than the existing approaches. The performance is analyzed with the parameters such as secrecy capacity, secrecy outage probability, packet delivery ratio, secrecy throughput, and energy consumption.

Synthesis, characterization, anti-lung cancer activity, and in-silico studies of some novel triazole-based analogues as Pellizzari products

In the present research work, a series of novel (Z)-5-(cyclohexylidenehydrazono)-2-aryl-3H,5H-thiazolo[3,4-b][1,2,4]triazole derivatives were synthesized by Pellizzari reaction of (Z)-3-amino-2-(cyclo hexylidenehydrazono)thiazolidin-4-one with different aromatic amides. All the synthesized products were obtained in a good to excellent yields, and their structures were established based on UV-Vis, FT-IR, 1H NMR, 13C NMR, and HRMS analysis. To validate the experimental findings, in-silico studies of one synthesized compound (11a) were done with the help of density functional theory (DFT) at B3LYP/6-311++G(d,p) level. Frontier molecular orbitals, molecular electrostatic potential, and Reduced density gradient analysis were performed to better understand the electronic properties, and reactivity. Results of NLO, ELF, LOL, DOS, AIM, and vector analysis were reported. All the newly synthesized benzimidazole compounds had a cytotoxic impact, in some cases much more potent than the reference medication. The cytotoxicity of all the synthesized compounds were assessed against A549 cell lines using the MTT assay. Among them, compounds 11d and 11e showed more potent cytotoxicity having the IC50 value ∼90 and ∼80 µM, respectively. The molecular docking studies revealed an excellent affinity for the active sites of the matching gene regulation-inhibitor complex (BDR4) protein. Additionally, the evaluation of ADMET parameters indicated good pharmacokinetic properties of all the investigated compounds.

Stratigraphic evolution of a salt-walled basin: the influence of diapirism and compressional tectonics on the sedimentary record of the Estopanyà syncline (South-Central Pyrenees)

This contribution describes the influence of diapirism and compressional tectonics in the sedimentary record of the Estopanyà and Boix synclines (salt-walled basins) in the South-Central Pyrenees (NE Spain). Based on mapping and logging of five stratigraphic sections, two lithostratigraphic units (LU-1 and 2) along the eastern diapir margin of these synclines and five more (LU-3 to 7) in their inner parts are defined. LU-1 and 2 consist of monomictic breccias deposited probably during the Upper Triassic-Oligocene and the Upper Cretaceous, respectively. LU-3 to 7 constitute a marine to fluvial succession of the Tremp Group deposited during the Upper Cretaceous to Paleocene. The stratigraphic and sedimentological record indicates that the topography, position, and accommodation space of the Estopanyà and Boix synclines was actively controlled by the evolution of salt structures from the Late Cretaceous to the Oligocene in response to the advance of the Alpine compression in the South-Central Pyrenees. The growth of salt-inflated ridges with a near parallel orientation to the axis of the studied synclines since the Upper Cretaceous, progressively compartmentalized the Boix syncline until inhibiting sedimentation during the lower Paleocene. In the upper Paleocene, the Alpine compression approached the study area increasing salt evacuation and the subsidence of the Estopanyà and Boix synclines. During the early to middle Ypresian, onset of compression led to salt expulsion by piercing the sedimentary roof of the inherited salt-inflated ridges and forming two salt walls at the eastern margin of the Estopanyà and Boix synclines that were squeezed and welded (possibly through secondary welds) due to tectonic compression during the Oligocene. This contribution provides a new interpretation of the structural and stratigraphic evolution of the Estopanyà and Boix synclines, proposing an evolutionary model that includes the rejuvenation, growth, and extrusion of salt walls as deciphered from the stratigraphy, sedimentology, and petrology of the diapir margin breccias and the sedimentary succession of the adjoining salt-embedded basins. Hence, it provides a new analogue study for understanding the interplay between compressional tectonics, diapirism, and sedimentation to other inverted salt basins with precursor salt walls worldwide.

Investigating Determinants of Client Psychotherapy Preference: An Analog Study.

Increased emphasis has been placed on elucidating the contribution of client variables, such as treatment preference, to optimize evidence-based practice. This analog study sought to better understand variables associated with treatment preference using a convenience sample of college students (n = 54) who read brief descriptions of three interventions for negative thoughts-defusion, noticing, and restructuring. They rated each on acceptability and practicality and completed measures of cognitive fusion, emotional distress, and experiential avoidance as possible moderating variables. Restructuring was overwhelmingly preferred and rated as more acceptable than the two alternatives by both the overall sample and a distressed subsample. Preference for defusion or noticing was not predicted by ratings of acceptability or practicality but by elevated levels of cognitive fusion and emotional distress consistent with a compensation model. Limitations of the study and its implications for further research on psychotherapy preference and its integration within evidence-based practice are discussed.