Framework Of Mechanics Research Articles

Asymmetric 1,2‐Migration on Vicinal Tetrasubstituted Stereocenters Constructed from α‐Keto Imines

A carbonyl‐assisted asymmetric 1,2‐migratory allylation through in situ generation of vicinal tetrasubstituted stereocenters is reported to access enantiopure α‐amino ketones, and amino‐alcohols with excellent yields and diastereoselectivities. In a remarkable divergence, despite having higher steric hindrance, the allylation exclusively occurs on ketones over imines in the first step, followed by a face‐selective 1,2‐allyl transfer, thus highlighting an exciting interplay between two distinct electrophiles. The methodology distinguishes itself through its adaptability to gram‐scale synthesis, showcasing broad functional group tolerance, and stereodivergence. The density functional theory (DFT) analysis elucidates a deeper understanding of its selectivity and mechanistic framework. Highlighting its transformative potential, the total synthesis of hapalindole alkaloids were adeptly achieved.

Asymmetric 1,2‐Migration on Vicinal Tetrasubstituted Stereocenters Constructed from α‐Keto Imines

A carbonyl‐assisted asymmetric 1,2‐migratory allylation through in situ generation of vicinal tetrasubstituted stereocenters is reported to access enantiopure α‐amino ketones, and amino‐alcohols with excellent yields and diastereoselectivities. In a remarkable divergence, despite having higher steric hindrance, the allylation exclusively occurs on ketones over imines in the first step, followed by a face‐selective 1,2‐allyl transfer, thus highlighting an exciting interplay between two distinct electrophiles. The methodology distinguishes itself through its adaptability to gram‐scale synthesis, showcasing broad functional group tolerance, and stereodivergence. The density functional theory (DFT) analysis elucidates a deeper understanding of its selectivity and mechanistic framework. Highlighting its transformative potential, the total synthesis of hapalindole alkaloids were adeptly achieved.

Fracture mechanics approach to minimum reinforcement design of fibre-reinforced and hybrid-reinforced concrete beams

Fracture mechanics approach to minimum reinforcement design of fibre-reinforced and hybrid-reinforced concrete beams

Visual social information use in collective foraging.

Collective dynamics emerge from individual-level decisions, yet we still poorly understand the link between individual-level decision-making processes and collective outcomes in realistic physical systems. Using collective foraging to study the key trade-off between personal and social information use, we present a mechanistic, spatially-explicit agent-based model that combines individual-level evidence accumulation of personal and (visual) social cues with particle-based movement. Under idealized conditions without physical constraints, our mechanistic framework reproduces findings from established probabilistic models, but explains how individual-level decision processes generate collective outcomes in a bottom-up way. In clustered environments, groups performed best if agents reacted strongly to social information, while in uniform environments, individualistic search was most beneficial. Incorporating different real-world physical and perceptual constraints profoundly shaped collective performance, and could even buffer maladaptive herding by facilitating self-organized exploration. Our study uncovers the mechanisms linking individual cognition to collective outcomes in human and animal foraging and paves the way for decentralized robotic applications.

A human neural crest model reveals the developmental impact of neuroblastoma-associated chromosomal aberrations

Early childhood tumours arise from transformed embryonic cells, which often carry large copy number alterations (CNA). However, it remains unclear how CNAs contribute to embryonic tumourigenesis due to a lack of suitable models. Here we employ female human embryonic stem cell (hESC) differentiation and single-cell transcriptome and epigenome analysis to assess the effects of chromosome 17q/1q gains, which are prevalent in the embryonal tumour neuroblastoma (NB). We show that CNAs impair the specification of trunk neural crest (NC) cells and their sympathoadrenal derivatives, the putative cells-of-origin of NB. This effect is exacerbated upon overexpression of MYCN, whose amplification co-occurs with CNAs in NB. Moreover, CNAs potentiate the pro-tumourigenic effects of MYCN and mutant NC cells resemble NB cells in tumours. These changes correlate with a stepwise aberration of developmental transcription factor networks. Together, our results sketch a mechanistic framework for the CNA-driven initiation of embryonal tumours.

Atomistic to continuum mechanics description of crystal defects with dislocation density fields: Application to dislocations and grain boundaries

The atomic structure of crystal defects such as dislocations, grain or phase boundaries, control these defects’ properties: their mobility, ability to cross-slip, or solute segregation. These crystal defects can be conveniently studied by atomistic simulations and one then needs to transfer relevant information at the upper scale to model microstructures containing a large number of defects, e.g., a polycrystal. Here, we propose an atomistic to continuum mechanics crossover method that (i) represents the atomic structure of dislocations cores by an appropriate Nye dislocation density tensor field and (ii), captures quantitatively the short and long range mechanical fields of defects. For (i), we propose a modified and improved interpolation method based on the original work by Hartley and Mishin. For (ii), we use a field dislocation mechanics framework that rigorously calculates/evaluates the mechanical fields associated with any Nye dislocation density distribution. The transfer method relies on molecular static calculations using two energetic models — ab-initio for screw dislocation core simulations in tungsten, and EAM potential for low and large angle grain boundaries in copper. Our findings demonstrate the effectiveness of the proposed approach in reconstructing the Burgers vector, and continuous strain and rotation fields. The framework is further applied to analyze the elastic interactions between extrinsic edge dislocations and a low angle grain boundary in copper.

Mesoscopic simulation of uniaxial compression fracture of concrete via the nonlocal macro-meso-scale consistent damage model

To capture the uniaxial compression fracture of concrete composite is still a great challenging problem. To this end, the newly proposed nonlocal macro-meso-scale consistent damage (NMMD) model is extended to simulate uniaxial compression fracture of concrete composites. In the NMMD model, a mesoscopic structure composed of material point pairs is attached to each material point. A decomposition scheme suitable for masonry-like materials is adopted to decompose the elongation quantity of point pairs. The topologic damage is defined as the weighted summation of mesoscopic damage in neighboring material point pairs driven by the decomposed elongation quantity. The physically-based energetic degradation function is employed to bridge the geometric discontinuity in solids and the energy dissipation, and thus the topologic damage is integrated into the framework of continuum damage mechanics. The Monte-Carlo method and two-phase random field model are employed to generate stochastic circular and irregular aggregates representing the meso structure of concrete, respectively. The interface transition zone is prescribed by reducing the critical value of interface point pairs. Numerical results indicate that both the crack patterns and stress–strain curves of the uniaxial compression experiments on concrete panels can be well captured by the proposed NMMD model without mesh size sensitivity. The influence of horizontal constraints on the top and bottom surfaces is investigated and shown to have an effect on the crack patterns, strength and deformation capability of the specimen. The necessity of decomposition is also illustrated.

A tensorial energy-release-rate based anisotropic damage-plasticity model for concrete

This paper proposes an anisotropic damage model for concrete to capture its plasticity and damage behavior effectively. Utilizing the framework of continuum damage mechanics, the model considers the influence of plastic Helmholtz free energy on damage evolution. This approach explicitly deduces damage-related thermodynamic forces without resorting to assumptions such as strain equivalence or energy equivalence. The proposed model employs tensile and compressive damage tensors to describe the development of anisotropic damage in concrete. The solution for plastic strain utilizes the empirical plasticity model. Furthermore, a unified evolutionary criterion for isotropic and anisotropic damage is also established, incorporating damage yield functions and orthogonal flow laws. Numerical simulations are conducted to validate the model’s ability to reproduce typical nonlinear behaviors of concrete structures under various load conditions.

An exploratory framework for mapping, mechanism, and management of urban soundscape quality: From quietness to naturalness

BackgroundDespite growing attention from researchers and governments, challenges persist in comprehensively assessing urban sound quality by integrating both quietness and naturalness aspects. GoalsThis study aimed to develop an innovative soundscape quality index that concurrently evaluates quietness and naturalness in urban soundscapes. Our objectives included conducting urban soundscape quality mapping, analyzing influential mechanisms, and identifying priority zones for sound environment management. ApproachesWe collected sound pressure level (SPL) and raw audio data, from which we computed a normalized difference soundscape index (NDSI). With a dataset comprising 28 explanatory variables encompassing land use, built environment, vegetation characteristics, and temporal factors, we employed the random forest (RF) model to predict 10 indicators, including eight SPL-related indices, NDSI, and the QNS (quietness and naturalness soundscape) index. Crucially, we utilized SHAP (SHapley Additive exPlanations) values to interpret the RF model. FindingsSpatial variations in quietness and naturalness were evident, closely associated with road networks and vegetation, respectively, with discernible temporal variations. The top three variables influencing QNS were distance to major roads, normalized difference vegetation index (NDVI), and proportion of tree coverage. Moreover, interaction effects highlighted dual negative or synergistic promoting effects on QNS from factors such as road width, human disturbance, vegetation configurations, and land cover. Notably, these mechanisms were successfully applied to six typical tourist attractions in Xiamen city, where five types of management zones were mapped based on priority considerations of population density and soundscape quality. Interestingly, natural soundscape reserves were highly correlated with city parks, high-risk zones predominantly overlapped with road networks, and potential zones comprised inner communities between streets. SignificanceThe framework demonstrated effectiveness in mapping, exploring mechanisms, and guiding management strategies for the urban sound environment.

How to characterise the anisotropy of laser powder bed fusion-processed parts? Towards a surrogate, non-destructive indentation-based approach

This work proposes a non-destructive indentation (NDI)-based surrogate mechanical testing framework for anisotropy and mechanical property evaluation of LPBF processed Inconel 718 superalloy. A Knoop-hardness tester was employed to develop the surrogate framework. Further post-heat treatments (PHTs) were performed at various cooling rates. The as-printed and PHT (SA, SB, SC, and SD) samples were characterized using X-ray diffraction (XRD) optical microscopy (OM), scanning electron microscopy (SEM), and electron back-scattered diffraction (EBSD) techniques. The yield locus plots show strong anisotropy for the as-printed sample. The IPF maps and pole figures for the as-printed samples showed elongated columnar grains with strong fiber texture along the (001) plane parallel to the build direction. They corroborated sufficiently with XRD, grain boundary map (GBM), and Kernel average misorientation (KAM) analysis. The yield locus shape of samples subjected to homogenization treatment becomes a nearly uniform ellipse with a reduction in the difference between σx and σy values, which can be attributed to the recrystallization of grains as observed by the transition from low-angle grain boundaries (LAGBs) to high angle grain boundaries (HAGBs). The PHT samples show a further increase in yield loci size due to the precipitation of γ’ and γ” strengthening phases due to aging treatment and corroborated with higher Taylor factor and dislocation density than the as-printed samples. The yield loci were sensitive to the PHT's cooling rates. Notably, among PHT ones, ‘SA’ samples exhibited a strong correlation (R2 ≈ 97.5 %) between the Taylor factor and yield locus. It was attributed to slower cooling rates (furnace cooled) with noticeably enhanced precipitation of strengthening phases, an increase in the volume fraction of recrystallized grains (from grain orientation spread (GOS) map), corroborating with higher dislocation density due to local strain as inferred from EBSD analysis. The proposed NDI surrogate approach was initially validated on an as-printed Inconel 718 stator blade. The yield locus showed a strong correlation between the stator blade and the as-printed sample, indicating the effectiveness of the proposed methodology.

Gastronomic manifestation in the function of branding a tourist destination

PurposeThe paper examines the role and significance of gastronomic manifestations in the context of destination branding, within the framework of image transfer mechanisms and the Associative Network Memory Model.Design/methodology/approachThe research was conducted on a sample of 53 gastronomic events in the tourist destination of Vojvodina.FindingsThe results indicate that gastronomic manifestations image has a positive impact on the brand image and brand identity of the destination, as well as the destination's overall image. Furthermore, the study found that the food experience has a positive influence on the image of gastronomic events and the destination.Originality/valueThe study contributes to the advancement of research on tourist destination branding.

Microbial-mediated conversion of soil organic carbon co-regulates the evolution of antibiotic resistance

The influence of organic carbon on the proliferation of antibiotic resistance genes (ARGs) in the soil has been widely documented. However, it is unclear how soil organic carbon (SOC) interacts with the evolution of antibiotic resistance in bacteria. Here, we examined the variations in ARGs abundance during SOC mineralization and explored the microbiological mechanisms and key metabolic pathways involved in their coevolution. The results showed that the SOC mineralization rate was closely correlated with ARGs abundance (p < 0.05). High organic carbon (OC) mineralization was conducive to the occurrence of multidrug resistance genes. For example, multidrug_transporter and mexB increased 2.26 and 7.83 times from the initial level. The competitor (stress) evolutionary strategy model revealed that higher OC inputs drive environmental microorganisms to evolve from stress tolerant to high resistance and strong adaptation. Meta-genomic and transcriptomic analyses revealed that the conversion process of pyruvate to acetyl-CoA to acetate was the critical metabolic pathway for the co-regulation of antibiotic resistance. Gene deletion validation trials have demonstrated that the key functional genes (ackA and pta) involved in this process can modulate the development of vancomycin and multidrug resistance. This outcome provides a preliminary framework for microbial mechanisms that target the co-regulation of microbial OC conversion and the evolution of antibiotic resistance.

Destabilization of fear memory by Rac1-driven engram-microglia communication in hippocampus

Rac1 is a key regulator of the cytoskeleton and neuronal plasticity, and is known to play a critical role in psychological and cognitive brain disorders. To elucidate the engram specific Rac1 signaling in fear memory, a doxycycline (Dox)-dependent robust activity marking (RAM) system was used to label dorsal dentate gyrus (DG) engram cells in mice during contextual fear conditioning. Rac1 mRNA and protein levels in DG engram cells were peaked at 24 h (day 1) after fear conditioning and were more abundant in the fear engram cells than in the non-engram cells. Optogenetic activation of Rac1 in a temporal manner in DG engram cells before memory retrieval decreased the freezing level in the fear context. Optogenetic activation of Rac1 increased autophagy protein 7 (ATG7) expression in the DG engram cells and activated DG microglia. Microglia-specific transcriptomics and fluorescence in situ hybridization revealed that overexpression of ATG7 in the fear engram cells upregulated the mRNA of Toll-like receptor TLR2/4 in DG microglia. Knockdown of microglial TLR2/4 rescued fear memory destabilization induced by ATG7 overexpression or Rac1 activation in DG engram cells. These results indicate that Rac1-driven communications between engram cells and microglia contributes to contextual fear memory destabilization, and is mediated by ATG7 and TLR2/4, and suggest a novel mechanistic framework for the cytoskeletal regulator in fear memory interference.

Gradient residual stress and fatigue life prediction of induction hardened carbon steel S38C axles: Experiment and simulation

Gradient distribution of triaxial residual stresses to a depth of several millimeters is retained in middle carbon steel S38C axles after high-frequency induction hardening, which has become a critical concern for fatigue structural integrity. To address this, the axial, hoop, and radial gradient residual strains inside the axles were measured for the first time by advanced neutron diffraction. The SIGINI Fortran subroutine was then adopted to reconstruct the global initial residual stress field from the measured data. Experimental and simulation results show that residual stresses of about −520 MPa (axial), −710 MPa (hoop), and −40 MPa (radial) residual stress were retained below the axle surface. Subsequently, the fatigue crack propagation behavior of S38C axles was numerically investigated in the framework of fracture mechanics. The calculated results clearly show that the compressive residual stresses at a depth of 0–3 mm from the axle surface lead to a low crack growth driving force, and that fatigue cracks do not propagate as long as the crack depth is less than 3.7 mm for hollow S38C axles. These results further indicate that the maximum defect size allowed in routine inspections is acceptable from a safety and economic point of view. Accurate measurement and characterization of the global gradient residual stress field through experiments and simulations can provide an important reference for optimizing the mileage intervals of nondestructive testing (NDT) of surface defects in these surface-strengthened railway axles.

Unveiling structural features, chemical reactivity, and bioactivity of a newly synthesized purine derivative through crystallography and computational approaches

We introduce the synthesis and characterization of a novel purine derivative, 2-amino-6‑chloro-N,N-diphenyl-7H-purine-7-carboxamide. X-ray crystallography was utilized to elucidate its molecular and crystal structure. A comprehensive crystal packing analysis uncovered a network of diverse intermolecular interactions, including classical and unconventional hydrogen bonding. Remarkably, a unique halogen···π (C—Cl···π(ring)) interaction was identified and theoretically analyzed within a multi-approach quantum mechanics (QM) framework, revealing its lone-pair⋯π (n→π*) nature. Furthermore, insights into the electronic and chemical reactivity properties are provided by means of Conceptual Density Functional Theory (CDFT) at wB97X-D/aug-cc-pVTZ level. The compound's drug-likeness, pharmacokinetics, and toxicology profiles are assessed using ADMETlab 2.0. Finally, molecular docking simulations were conducted to evaluate its bioactivity as a potential cyclooxygenase-2 (COX-2) inhibitor. This study significantly advances our understanding of purine structure and reactivity, offering valuable insights for the development of targeted purine-based COX-2 inhibitors and anticancer therapeutics.

Characteristics and mechanism analysis of the clean evolution of China's power generation structure

The power industry in China is the foremost emitter of carbon, necessitating a clean transition in its power generation segment for successful decarbonization. Identifying and quantitative analysis the critical factors that shape the transition and their operational mechanisms will help achieve a secure low-carbon transformation of the energy system. Nonetheless, the body of extensive research in this particular field remains notably limited. To bridge this gap, this paper initiates by developing a comprehensive mechanism framework (REEP) for the transition towards cleaner power generation including Resource endowment (abbreviated as R), Electricity market (abbreviated as E), Economic development (abbreviated as E) and Policy implementation (abbreviated as P) four fields. This framework is based on monthly power generation data derived from four categories of power generation sources at the provincial level in China, spanning the years 2014–2019. It dynamically and quantitative elucidates the multifaceted impacts of various influencing factors on the evolution of the power generation structure. Based on the REEP framework, we observe the power generation structure evolution trends. The study's findings underscore the significance of resource endowment as a paramount internal factor influencing the clean evolution of the power generation structure, while economic development emerges as a pivotal external driving force propelling its transformation. Despite wind and solar power generation accounting for a relatively small proportion at the end of the 14th Five Year Plan period, it is imperative for China to continue promoting the extensive development of renewable energy. While we should coordinate national power transmission and distribution on the foundation of incentivizing technological innovation in emission reduction and the development of energy storage technology. This approach is essential to comprehensively advance the low-carbon and stable development of the energy system, ultimately facilitating the realization of the dual-carbon goal.

KdpD is a tandem serine histidine kinase that controls K+ pump KdpFABC transcriptionally and post-translationally

Two-component systems, consisting of a histidine kinase and a response regulator, serve signal transduction in bacteria, often regulating transcription in response to environmental stimuli. Here, we identify a tandem serine histidine kinase function for KdpD, previously described as a histidine kinase of the KdpDE two-component system, which controls production of the potassium pump KdpFABC. We show that KdpD additionally mediates an inhibitory serine phosphorylation of KdpFABC at high potassium levels, using not its C-terminal histidine kinase domain but an N-terminal atypical serine kinase domain. Sequence analysis of KdpDs from different species highlights that some KdpDs are much shorter than others. We show that, while Escherichia coli KdpD’s atypical serine kinase domain responds directly to potassium levels, a shorter version from Deinococcus geothermalis is controlled by second messenger cyclic di-AMP. Our findings add to the growing functional diversity of sensor kinases while simultaneously expanding the framework for regulatory mechanisms in bacterial potassium homeostasis.

Evidence of an active role of dreaming in emotional memory processing shows that we dream to forget

Dreaming is a universal human behavior that has inspired searches for meaning across many disciplines including art, psychology, religion, and politics, yet its function remains poorly understood. Given the suggested role of sleep in emotional memory processing, we investigated whether reported overnight dreaming and dream content are associated with sleep-dependent changes in emotional memory and reactivity, and whether dreaming plays an active or passive role. Participants completed an emotional picture task before and after a full night of sleep and they recorded the presence and content of their dreams upon waking in the morning. The results replicated the emotional memory trade-off (negative images maintained at the cost of neutral memories), but only in those who reported dreaming (Dream-Recallers), and not in Non-Dream-Recallers. Results also replicated sleep-dependent reductions in emotional reactivity, but only in Dream-Recallers, not in Non-Dream-Recallers. Additionally, the more positive the dream report, the more positive the next-day emotional reactivity is compared to the night before. These findings implicate an active role for dreaming in overnight emotional memory processing and suggest a mechanistic framework whereby dreaming may enhance salient emotional experiences via the forgetting of less relevant information.

Cross-Study of English Education and Cognitive Science: Language Processing and Learning Mechanisms

With the acceleration of globalization and the rapid development of information technology, English, as the main language of international communication, has increasingly prominent importance in education and learning. English education, as a discipline that studies the theory and practice of English education, has been exploring more effective teaching methods and learning strategies. At the same time, cognitive science, as a discipline that studies cognitive processes such as human thinking, learning, and memory, provides a profound theoretical foundation for understanding language processing and learning mechanisms. The cross-study of English education and cognitive science helps to build a more complete theoretical framework for language processing and learning mechanisms. By integrating the theoretical achievements of the two disciplines, we can more fully understand the cognitive processes and laws of English learning, revealing the intrinsic connection and essential characteristics of language processing and learning mechanisms. This can not only enrich and develop the theoretical systems of English education and cognitive science but also provide new ideas and perspectives for research in other related fields. In addition, with the continuous development of artificial intelligence and big data technology, research on language processing and learning mechanisms can also provide technical support and innovative ideas for fields such as natural language processing and intelligent education. Therefore, the cross-study of English education and cognitive science not only has far-reaching academic value but also has broad application prospects and social significance.

Учётно-контрольная система в обеспечении экономической безопасности фирмы

Under modern conditions of economic development, more and more important requirements are imposed on accounting, production, and financial systems of the organization. Accounting process is considered to be one of the most complicated. It depends on industry specifics, constantly changing legislation, as well as high degree of government regulation. Under certain crisis phenomena in the national and international economy, there is a necessity to substantiate theoretical and methodological aspects of formation and functioning of accounting and control system within the framework of organization's management mechanism. It is necessary to consider the existing mechanisms of accounting and control system, which will allow the management staff of the organization obtaining reliable information about the external and internal environment of financial and economic activities of the company. The concepts of formation of accounting and control system considered in the article allow judging the level of economic security of the organization, which forms the basis of the constituent basic elements of the activities. The purpose of the study is to develop the means to improve economic security of the company while implementing accounting and control functions of the organization. The research methodology is based on scientific research, system analysis and logical modeling of the processes and phenomena, graphical construction and of assumptions and hypotheses formation. As a result of the analysis, a list of preventive measures is proposed to prevent the threats to economic security of the system. The directions of accounting and control environment improvement are shown through augmented system of classification of threats to economic security taking into account functional goals and structural elements of accounting and control system,. The considered measures will ensure accounting and control system adaptation to the conditions of functioning in internal and external environment, will allow taking into account specific risks depending on the type of the organization activity, and will affect the efficiency and relevance of management decisions.