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  • Research Article
  • 10.1007/s00277-026-06816-5
Survival outcomes and adverse prognostic factors of Langerhans cell histiocytosis: a 40-year experience from a single tertiary center in Thailand
  • Jan 1, 2026
  • Annals of Hematology
  • Gamchai Atirattanachai + 4 more

The survival of Langerhans cell histiocytosis (LCH) in high-income countries is favorable, with rates of over 95%. However, there are few studies from resource-limited countries. Thus, this study aimed to examine survival risk factors and outcomes of LCH patients in Thailand. A retrospective review was conducted on LCH patients aged < 15 years at Songklanagarind Hospital over 40-year period. Cox regression analysis was utilized to identify risk factors. The overall (OS) and event-free survival (EFS) rates were calculated using the Kaplan-Meier method. A total of 68 patients were included with a median age of 2.1 years. Of these, 27 (39.7%) had single-system (SS)-LCH, 17 (25.0%) had no risk organ (RO-) multisystem (MS)-LCH, and 24 (35.3%) had risk organ (RO+) MS-LCH. The 5-year EFS of patients with SS-, RO-, and RO + MS-LCH were 95.2%, 58.4%, and 44.1%, respectively (p < 0.01). MS-LCH patients had a higher reactivation rate compared to those with SS-LCH (50.0% vs. 4.3%, p = 0.02, respectively). Age < 1 year was an independent risk factor for inferior survival (HR 13.79, 95% CI: 1.5-123.4, p = 0.02). The OS and reactivation rates of LCH patients treated with our national protocol are comparable to those of high-income countries. The infant was associated with inferior survival.Supplementary InformationThe online version contains supplementary material available at 10.1007/s00277-026-06816-5.

  • Research Article
  • 10.1037/tra0001623
Feasibility of a family-involved intervention to increase engagement in evidenced-based psychotherapies for posttraumatic stress disorder: A pilot study.
  • Dec 1, 2024
  • Psychological trauma : theory, research, practice and policy
  • Megan Shepherd-Banigan + 16 more

To assess the feasibility of a family-involved intervention, family support in mental health recovery (FAMILIAR), for veterans with posttraumatic stress disorder (PTSD) seeking psychotherapy at a single Veterans Administration Health System. This mixed-methods study reports qualitative and quantitative findings from a single-group pilot of 24 veterans and their support partners (SPs) about experiences with the intervention and interviews with eight VA mental health clinicians and leaders and the study interventionist to explore intervention feasibility. Findings across data sources were merged within domains of Bowen and colleagues' pilot study feasibility framework. Out of 24 dyads, 16 veterans and 15 associated SPs completed the intervention. Participants viewed the intervention to be valuable and feasible. Veterans and SPs reported that they enrolled in the study to develop a shared understanding of PTSD and treatment. While participants identified few logistical barriers, finding a time for conjoint sessions could be a challenge. Veterans, SPs, and providers discussed benefits of the intervention, including that it facilitated conversation between the veteran and SP about PTSD and mental health care and helped to prepare the dyad for treatment. Providers noted potential challenges integrating family-involved interventions into clinical workflow in VA and suggested the need for additional training and standardized procedures for family-centered care. Our study identified potential implementation facilitators (e.g., standard operating procedures about session documentation, confidentiality, and family ethics) and challenges (e.g., clinical workflow integration) that require further study to bring FAMILIAR into routine clinical care. (PsycInfo Database Record (c) 2024 APA, all rights reserved).

  • Abstract
  • Cite Count Icon 1
  • 10.1182/blood-2024-206118
Prognostic Value of BRAFV600E in Peripheral Blood of Children with Langerhans Cell Histiocytosis: A Multicenter Project of the European Consortium for Histiocytosis
  • Nov 5, 2024
  • Blood
  • Linda Beneforti + 18 more

Prognostic Value of BRAFV600E in Peripheral Blood of Children with Langerhans Cell Histiocytosis: A Multicenter Project of the European Consortium for Histiocytosis

  • Research Article
  • Cite Count Icon 3
  • 10.1136/jnis-2023-020687
Preoperative cerebral angiography nearly doubles the rate of diffusion-weighted imaging lesion detection following minimally invasive surgery for intracerebral hemorrhage
  • Sep 17, 2024
  • Journal of NeuroInterventional Surgery
  • Christina P Rossitto + 14 more

BackgroundDiffusion-weighted imaging (DWI) lesions have been linked to poor outcomes after intracerebral hemorrhage (ICH). We aimed to assess the impact of cerebral digital subtraction angiography (DSA) on the presence of...

  • Research Article
  • Cite Count Icon 5
  • 10.1109/tnnls.2023.3248682
Decentralized H2 Control for Discrete-Time Networked Systems With Positivity Constraint.
  • Aug 1, 2024
  • IEEE transactions on neural networks and learning systems
  • Jason J R Liu + 2 more

In this brief, we study the decentralized H2 state-feedback control problem for networked discrete-time systems with positivity constraint. This problem (for a single positive system), raised recently in the area of positive systems theory, is known to be challenging due to its inherent nonconvexity. In contrast to most works, which only provide sufficient synthesis conditions for a single positive system, we study this problem within a primal-dual scheme, in which necessary and sufficient synthesis conditions are proposed for networked positive systems. Based on the equivalent conditions, we develop a primal-dual iterative algorithm for solution, which helps prevent from converging to a local minimum. In the simulation, two illustrative examples are employed for verification of our proposed results.

  • Research Article
  • Cite Count Icon 4
  • 10.1016/j.molliq.2024.124531
Solubility evaluation of palm-based Mono-diacylglycerols (MDAGs) in food grade solvent (hexane, ethanol, acetone, water) using QSPR model approach
  • Mar 21, 2024
  • Journal of Molecular Liquids
  • Gina Libria Nadjamoeddin + 4 more

Solubility evaluation of palm-based Mono-diacylglycerols (MDAGs) in food grade solvent (hexane, ethanol, acetone, water) using QSPR model approach

  • Research Article
  • Cite Count Icon 2
  • 10.1002/chem.202400059
Ultrasensitive Solvatochirochromism of Single Benzene Chromophores.
  • Mar 15, 2024
  • Chemistry – A European Journal
  • Yiping Liu + 2 more

Solvents influence the structure, aggregation and folding behaviors of solvatochromic compounds. Ultrasensitive solvent mediated chiroptical response is conducive to the fabrication of molecular platform for sensing and recognition, which however, remains great challenges in conceptual or applicable design. Here we report a cysteine-based single benzene chromophore system that shows ultrasensitivity to solvents. Compared to the ratiometrically responsive systems, the chiroptical activities could be triggered or inverted depending on the substituents of chiral entities with an ultralow solvent volume fraction (<1 vol %). One drop of dipolar solvents shall significantly induce the emergence or inversion of chiroptical signals in bulky phases. Based on the experimental and computational studies, the ultrasensitivity is contributed to the intimate interplay between solvents and chiral compounds that anchors the specific chiral conformation. It illustrates that structurally simple organic compounds without aggregation or folding behaviors possess pronounced solvatochiroptical properties, which sheds light on the next-generation of chiroptical sensors and switches.

  • Research Article
  • Cite Count Icon 2
  • 10.1152/ajpgi.00263.2023
Albumin promoter-driven FlpO expression induces efficient genetic recombination in mouse liver.
  • Mar 12, 2024
  • American journal of physiology. Gastrointestinal and liver physiology
  • Xiaohui Zhu + 13 more

Tissue-specific gene manipulations are widely used in genetically engineered mouse models. A single recombinase system, such as the one using Alb-Cre, has been commonly used for liver-specific genetic manipulations. However, most diseases are complex, involving multiple genetic changes and various cell types. A dual recombinase system is required for conditionally modifying different genes sequentially in the same cell or inducing genetic changes in different cell types within the same organism. A FlpO cDNA was inserted between the last exon and 3'-UTR of the mouse albumin gene in a bacterial artificial chromosome (BAC-Alb-FlpO). The founders were crossed with various reporter mice to examine the efficiency of recombination. Liver cancer tumorigenesis was investigated by crossing the FlpO mice with FSF-KrasG12D mice and p53frt mice (KPF mice). BAC-Alb-FlpO mice exhibited highly efficient recombination capability in both hepatocytes and intrahepatic cholangiocytes. No recombination was observed in the duodenum and pancreatic cells. BAC-Alb-FlpO-mediated liver-specific expression of mutant KrasG12D and conditional deletion of p53 gene caused the development of liver cancer. Remarkably, liver cancer in these KPF mice manifested a distinctive mixed hepatocellular carcinoma and cholangiocarcinoma phenotype. A highly efficient and liver-specific BAC-Alb-FlpO mouse model was developed. In combination with other Cre lines, different genes can be manipulated sequentially in the same cell, or distinct genetic changes can be induced in different cell types of the same organism.NEW & NOTEWORTHY A liver-specific Alb-FlpO mouse line was generated. By coupling it with other existing CreERT or Cre lines, the dual recombinase approach can enable sequential gene modifications within the same cell or across various cell types in an organism for liver research through temporal and spatial gene manipulations.

  • Research Article
  • 10.55041/ijsrem29207
Fabrication, Design, and Analysis of Dual Axis Solar Tracking System
  • Mar 11, 2024
  • INTERANTIONAL JOURNAL OF SCIENTIFIC RESEARCH IN ENGINEERING AND MANAGEMENT
  • Md Mainuddin

Energy crisis is one of the prime issues in the third world developing country like Bangladesh. There is an enormous gap between generation and demand of electrical energy. Nearly 50% of the population of the country is extremely isolated from this blessing. Renewable energy is the only answer to solve this issue. Solar energy is one of the most effective resources of renewable energy which could play a significant role in solving this crisis. This research presents a performance analysis of the dual axis solar tracking system using Arduino. The main objective of this research is whether a static solar panel is better than a solar tracker or not. This work is divided into two parts, hardware, and software system. In the hardware part, four light dependent resistors (LDR) is used to detect the utmost light source from the sun. Two servo motors conjointly used to move the solar panel to maximum light source location perceived by the LDRs. In the software part, the code is written by using C programming language and has targeted to the Arduino UNO controller. The outcome of the solar tracker system has analyzed and compared with the fixed or static solar panel found better performance in terms of voltage, current and power. Therefore, the solar tracker has proved more practical for capturing the maximum sunlight supply for star harvesting applications. The result showed dual- axis solar tracking system produced extra 10.53-watt power compared with fixed and single axis solar tracking system. Key Words: Solar Pannel, Servo Motor, LDR

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  • Research Article
  • Cite Count Icon 19
  • 10.1145/3640008
PRogramAR: Augmented Reality End-User Robot Programming
  • Mar 11, 2024
  • ACM Transactions on Human-Robot Interaction
  • Bryce Ikeda + 1 more

The field of end-user robot programming seeks to develop methods that empower non-expert programmers to task and modify robot operations. In doing so, researchers may enhance robot flexibility and broaden the scope of robot deployments into the real world. We introduce PRogramAR (Programming Robots using Augmented Reality), a novel end-user robot programming system that combines the intuitive visual feedback of augmented reality (AR) with the simplistic and responsive paradigm of trigger-action programming (TAP) to facilitate human-robot collaboration. Through PRogramAR, users are able to rapidly author task rules and desired reactive robot behaviors, while specifying task constraints and observing program feedback contextualized directly in the real world. PRogramAR provides feedback by simulating the robot’s intended behavior and providing instant evaluation of TAP rule executability to help end users better understand and debug their programs during development. In a system validation, 17 end users ranging from ages 18 to 83 used PRogramAR to program a robot to assist them in completing three collaborative tasks. Our results demonstrate how merging the benefits of AR and TAP using elements from prior robot programming research into a single novel system can successfully enhance the robot programming process for non-expert users.

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  • Research Article
  • 10.32388/54rcsu
An Exhaustive Examination of the Motor System’s Reliability in Electric Vehicles
  • Mar 8, 2024
  • Qeios
  • Dhanush Roy + 1 more

Due to their unique zero carbon emission feature, electric vehicles (EVs) have garnered increasing interest in recent years. However, concerns persist regarding their reliability, particularly concerning critical components. Efforts have been made to assess the reliability of drive motors in EVs. Yet, given the integration of drive motors and motor controllers as a single system in EVs, a combined assessment is essential for a more accurate reliability prediction. Additionally, considering the multiple components within both drive motors and motor controllers, their structure, type, and characteristics may influence the overall reliability of the motor system, a factor overlooked in previous research. To bridge this knowledge gap, this study investigates the reliability of the entire motor system in pure electric vans, encompassing both drive motors and motor controllers. The research begins with predicting the theoretical failure rates of subassemblies and components within the drive motor and motor controller. Subsequently, based on these predictions, the reliability of the entire motor system is assessed. The findings highlight vulnerable subassemblies and components within the motor system, shedding light on potential shortcomings in existing reliability research. These new insights are deemed crucial for informing future reliability design and maintenance practices for pure electric vans. This study undertakes an exhaustive investigation into the reliability of the motor system in EVs. As EVs gain prominence for their environmental benefits and increasing market share, concerns regarding the reliability of critical components, such as the drive motor and associated control systems, become paramount. While prior research has addressed component-level reliability, this study takes a holistic approach by assessing the entire motor system. Through theoretical modeling and empirical analysis, the study predicts failure rates of subassemblies and components within the drive motor and control systems, culminating in an evaluation of the overall motor system reliability. By uncovering vulnerabilities and potential areas for improvement, this research offers valuable insights to advance the design, development, and maintenance of reliable electric vehicles.

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  • Research Article
  • 10.17803/1729-5920.2024.207.2.038-048
The Need to Harmonize the Labor Legislation of Pharmaceutical Workers of the Member States of the Eurasian Economic Union (EAEU)
  • Mar 6, 2024
  • Lex Russica
  • E S Batusova

The paper is devoted to topical issues of legal regulation of the work of pharmaceutical workers both at the level of international legal acts of the Eurasian Economic Union (EAEU) and at the level of national legislation of the member states. These problems include the lack of a uniform integrated approach to the regulation of the work of pharmaceutical workers in international legal acts and its fragmentation. This leads to a decrease in the effectiveness of legal regulation of these categories of subjects of labor law. The situation gives rise to two dialectically interrelated trends at the EAEU level. On the one hand, international legal acts on the drug market of this organization contain norms that regulate the work of pharmaceutical workers. On the other hand, these norms do not cover all aspects of the work of pharmaceutical workers. The solution to this problem is seen in changing the international legal acts of the EAEU on the drug market by stipulating the norms regulating the work of pharmaceutical workers, considered in a single system and in close relationship with pharmaceutical activities. This is possible through the analysis, and in the future, the use of positive legal experience in regulating the labor of pharmaceutical workers in the EAEU countries to develop separate sections of the international legal acts of the EAEU in the field of regulation of the pharmaceutical market (in the form of appendices thereto).

  • Research Article
  • 10.17587/mau.25.151-157
Passive Visual Odometry of Mobile Transport Robots in Production Areas Using Anchor Points
  • Mar 5, 2024
  • Mekhatronika, Avtomatizatsiya, Upravlenie
  • N I Gdansky + 4 more

The article considers the problem of determining the orientation of mobile transport robots, which are now actively used in almost all areas of industry. They make it possible to intensify production, free personnel from performing routine operations, and exclude the influence of the human factor from work. Based on the analysis of various variants of active orientation methods involving the use of binocular video systems installed on the vehicles themselves, it is proposed to use a passive orientation detection system. It includes a single stationary monocular video system, the replacement of onboard video systems on mobile robots with simple radiation sensors, as well as the use of anchor points in the area of their movement. The order of choice of anchor points in solving the problem of orientation of a mobile transport robot using a monocular video system, in particular for a rectangular interior space, is considered. Calculation formulas for determining the coordinates of the sensor from the pixel coordinates of its image obtained from a monocular video camera are determined. The general sequence of actions for determining the orientation of a mobile robotic platform is also considered. Unlike active systems, this method makes it possible to significantly simplify the hardware, significantly facilitate the analysis of the current position of the mobile robot and thereby reduce the computational complexity of calculations due to the fact that there is no need to use a complex mathematical apparatus. It is being replaced by simpler two-dimensional geometric calculations. This approach, due to the unified management, makes it possible to effectively coordinate the actions of a group of mobile transport robots when they are used together, greatly simplifies the solution of a number of tasks for optimizing the intra-shop movement of mobile vehicles.

  • Research Article
  • Cite Count Icon 16
  • 10.1016/j.ymssp.2024.111305
Magnetic irregularity measurement and signal processing of permanent magnet guideway for superconducting pinning maglev train
  • Mar 5, 2024
  • Mechanical Systems and Signal Processing
  • Li Wang + 5 more

Magnetic irregularity measurement and signal processing of permanent magnet guideway for superconducting pinning maglev train

  • Research Article
  • 10.1158/1538-7445.ovarian23-a053
Abstract A053: Understanding geospatial relationships in ovarian cancer risk
  • Mar 4, 2024
  • Cancer Research
  • Victoria Wang + 2 more

Abstract To examine the geographic distribution of ovarian cancer cases in the New England area and identify potential case clusters. Methods: This was a case-control study utilizing 1580 ovarian cancer patients from a single healthcare system (MGB). Using electronic health record (EHR) review, patient primary addresses were geocoded. To account for spatial distribution confounded by access to the MGB health system, 1750 patients from the MGB biobank system were geocoded as controls. Generalized additive models were used to determine the spatial patterning of cases and controls, controlled for age and race. Geospatial analysis was performed using ArcGIS software and R. Results: 3325 patients (1576 ovarian cancer patients, 1749 biobank controls) were successfully geocoded. Distribution of ovarian cancer cases and biobank patient controls were similar (average nearest neighbor distance 6337m vs 5623 m). Among the cohort of patients in New England (defined as MA, ME, NH, VT, RI, CT), there were 1476 ovarian cancer patients and 1663 biobank control patients. Use of a generalized additive model demonstrated higher incidence of ovarian cancer in Western CT, western MA, VT, and southern ME. These data are similar to SEER reported county-level incidence of late-stage ovarian cancer. Conclusions: Understanding the geospatial distribution of ovarian cancer cases can highlight potential clusters of higher incidences of disease. Causal relationships have yet to be established and require future investigation, but these data suggest spatially patterned exposures are worth examination. Citation Format: Victoria Wang, Jaime Hart, Kevin Elias. Understanding geospatial relationships in ovarian cancer risk [abstract]. In: Proceedings of the AACR Special Conference on Ovarian Cancer; 2023 Oct 5-7; Boston, Massachusetts. Philadelphia (PA): AACR; Cancer Res 2024;84(5 Suppl_2):Abstract nr A053.

  • Research Article
  • 10.1097/bot.0000000000002748
Sagittal Angulation and the Treatment of Geriatric Femoral Neck Fractures: Time to Update our Classification Systems.
  • Mar 1, 2024
  • Journal of orthopaedic trauma
  • Duncan Skerrett + 4 more

Inconsistent outcomes have been reported for percutaneous fixation of Garden I/II femoral neck fractures in geriatric patients. It was hypothesized that accounting for variable follow-up would better estimate the failure rate of percutaneous fixation with and without significant sagittal angulation. Retrospective. Single academic healthcare system. Patients ≥50 years of age treated with percutaneous screw fixation of Garden I/II (OTA/AO B1.1/B1.2) femoral neck fractures from 2010 to 2020 were identified. Pathologic fractures and open approaches were excluded. Sagittal angulation was measured using a previously described method. 11 Treatment failure was defined as early fixation failure (within 6 weeks), nonunion, and/or avascular necrosis. Potential associations between treatment failure and patient, injury, and treatment variables were assessed. Cox proportional hazard analysis accounted for variable follow-up when assessing for event-free survival. Of the 240 fractures that met inclusion criteria, there were 20 treatment failures (8%) and 33 fractures with sagittal angulation ≥20 degrees on lateral radiographs (14%). Failure-free survival at 2 years was 91% for patients with <20 degrees of posterior angulation and 52% for patients with ≥20 degrees of posterior angulation ( P < 0.0001). The hazard ratio, which incorporates variable follow-up, for failure with ≥20 degrees of posterior angulation was 6.36 ( P < 0.0001). No other factors were associated with treatment failure. Significant posterior angulation (≥20 degrees) of Garden I/II femoral neck fractures is associated with a high failure rate after screw fixation. The authors suggest characterizing fractures with ≥20 degrees of sagittal angulation as Garden III fractures to better support surgical decision making. Prognostic Level III. See Instructions for Authors for a complete description of levels of evidence.

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  • Research Article
  • Cite Count Icon 9
  • 10.1186/s12862-023-02179-x
Balancing risks and rewards of alternate strategies in the seaward extent, duration and timing of fjord use in contemporary anadromy of brown trout (Salmo trutta)
  • Feb 29, 2024
  • BMC Ecology and Evolution
  • K L Hawley + 3 more

BackgroundAnadromy comprises a successful life-cycle adaptation for salmonids, with marine migration providing improved feeding opportunities and thus improved growth. These rewards are balanced against costs from increased energy expenditure and mortality risk. Anthropogenic-induced environmental changes that reduce benefits and/or increase costs of migration e.g., aquaculture and hydropower, may therefore result in adaptations disfavouring anadromy. We tagged brown trout (Salmo trutta) smolts (N = 175) and veteran migrants (N = 342), from five adjacent riverine populations located in Sognefjorden, the longest Norwegian fjord-system supporting anadromous brown trout populations (209 km). Over four years, 138 acoustic telemetry receivers were deployed to track migrations of tagged individuals from freshwater and throughout Sognefjorden. Detected movements were used to fit migration models and multi-state mark-recapture models of survival and movement for each life-stage. Seaward migration distance was modelled to examine the fitness consequences from alternate migration strategies, with these models used to simulate the extent of fjord-use by individuals and accompanying growth, fecundity and survival consequences. We compared these findings with mark-recapture data collected prior to aquaculture and hydropower development.ResultsThe telemetry data revealed that the outermost-fjord region was utilised by all populations albeit by few individuals. However, historical recaptures were located at a greater distance from the river mouth (87.7 ± 70.3 km), when compared to maximum migration distances of present-day counterparts (58.6 ± 54.9 km). River of origin influenced observed migratory behaviour and differential survival was estimated for each population and life-stage. The simulations based on telemetry-data models revealed a 30% and 23% difference in survival among populations for smolts and veteran migrants, respectively. At the individual-level, a long-distance migration strategy was rewarded with enhanced fecundity. However, the main contribution to population-level fecundity was overwhelmingly derived from middle-distance migrants, due to higher mortality rates and limited numbers of long-distant migrants.ConclusionsWe conclude that present-day anadromy is precarious, but potential risk varies considerably between life-stages and populations, even within a single fjord system. Our findings suggest that selection for extended migration is under pressure, we therefore stress the importance of monitoring and management actions to secure genetic variation pertinent to preserve fitness gains of anadromy.

  • Research Article
  • 10.5747/cs.2023.v7.s173
REVISÃO INTEGRATIVA E SISTEMÁTICA SOBRE PARCERIAS PÚBLICO-PRIVADAS NA ADMINISTRAÇÃO PÚBLICA
  • Feb 29, 2024
  • Colloquium Socialis
  • David Ferreira De Oliveira Nogi + 3 more

Public Administration is the set of activities undertaken by the State with the objective of promoting the common good, through the use of authority powers and the implementation of public policies, programs and services. Public Administration management in Brazil faces a series of challenges that compromise the efficiency and effectiveness in the use of public resources, including problems such as excessive bureaucracy, the lack of strategic planning, corrupt practices and the phenomenon of clientelism. Therefore, the present study, undertaken an Integrative Systematic Review (RSI), had the purpose of examining articles related to public-private partnerships in public administration, which were published in the Scientific Electronic Library Online (SCIELO) database in the period time between 2012 and 2022. The main findings were that the most published articles are mostly related to health and education, which together represent a total of 15 articles. The presence of literature reviews on the topic was observed; public-private partnerships in the Brazilian public sectors and the main themes found in relation to this topic include: studies presented a single health system, government regulation, education policies, urban mobility, educational governance, health service reforms/health policy.

  • Research Article
  • Cite Count Icon 6
  • 10.1016/j.tws.2024.111755
Experimental investigation on the self-healing properties of ester-exchanged vitrimeric CFRP laminate with microchannels
  • Feb 28, 2024
  • Thin-Walled Structures
  • Yang Zhao + 5 more

Experimental investigation on the self-healing properties of ester-exchanged vitrimeric CFRP laminate with microchannels

  • Research Article
  • Cite Count Icon 3
  • 10.1021/acs.jctc.3c01052
Relative Resolution: An Analysis with the Kullback-Leibler Entropy.
  • Feb 28, 2024
  • Journal of Chemical Theory and Computation
  • Mark Chaimovich + 1 more

A novel type of a multiscale approach, called Relative Resolution (RelRes), can correctly retrieve the behavior of various nonpolar liquids while speeding up molecular simulations by almost an order of magnitude. In this approach in a single system, molecules switch their resolution in terms of their relative separation, with near neighbors interacting via fine-grained potentials, yet far neighbors interacting via coarse-grained potentials; notably, these two potentials are analytically parametrized by a multipole approximation. Our current work focuses on analyzing RelRes by relating it with the Kullback-Leibler (KL) entropy, which is a useful metric for multiscale errors. In particular, we thoroughly examine the exact and approximate versions of this informatic measure for several alkane systems. By analyzing its dependency on the system size, we devise a formula for predicting the exact KL entropy of an "infinite" system via the computation of the approximate KL entropy of an "infinitesimal" system. Demonstrating that the KL entropy can holistically capture many multiscale errors, we settle bounds for the KL entropy that ensure a sufficient representation of the structural and thermal behavior by the RelRes algorithm. This, in turn, allows the scientific community to readily determine the ideal switching distance for an arbitrary RelRes system.

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