Cyclic Complexes Research Articles

Feedback density and causal complexity of simulation model structure

ABSTRACT Measures of simulation model complexity generally focus on outputs; we propose measuring the complexity of a model’s causal structure to gain insight into its fundamental character. This article introduces tools for measuring causal complexity. First, we introduce a method for developing a model’s causal structure diagram, which characterises the causal interactions present in the code. Causal structure diagrams facilitate comparison of simulation models, including those from different paradigms. Next, we develop metrics for evaluating a model’s causal complexity using its causal structure diagram. We discuss cyclomatic complexity as a measure of the intricacy of causal structure and introduce two new metrics that incorporate the concept of feedback, a fundamental component of causal structure. The first new metric introduced here is feedback density, a measure of the cycle-based interconnectedness of causal structure. The second metric combines cyclomatic complexity and feedback density into a comprehensive causal complexity measure. Finally, we demonstrate these complexity metrics on simulation models from multiple paradigms and discuss potential uses and interpretations. These tools enable direct comparison of models across paradigms and provide a mechanism for measuring and discussing complexity based on a model’s fundamental assumptions and design.

Alkaline aerobic oxidation of native softwood lignin in the presence of Na+-cyclic polyether complexes

Alkaline aerobic oxidation is a promising way to convert lignin to low molecular weight phenols, especially 4-hydroxybenzaldehydes. Our previous studies reported that oxidation of softwood lignin samples with a bulky cation, Bu4N+, facilitates selective production of vanillin (4-hydroxy-3-methoxybenzaldehyde). This study presents vanillin production from native softwood lignin in Japanese cedar (Cryptomeria japonica) in NaOH aq. in the presence of cyclic polyethers, with our expectation that Na+-polyether complexes exhibit effects similar to those of Bu4N+. Oxidation of wood flour (10 mg) in 4.0 M NaOH aq. (2.0 mL) at 120 °C under air gave vanillin with 6.2 wt% lignin-based yield, which was raised to 15.2 wt% by the addition of 15-crown-5 (1,4,7,10,13-pentaoxacyclopentadecane). On the other hand, such effect was not observed with the addition of tetraethylene glycol dimethyl ether, a non-cyclic analog of 15-crown-5. Mechanistic study with a lignin model compound revealed that stabilization of a vanillin precursor by the complex cation was a reason for the increased vanillin yield exhibited by the crown ether. This is similar to the influence of Bu4N+ reported previously, suggesting effective control of aerobic oxidation by large size cationic species.

Unveiling process insights from refactoring practices

Context: Software comprehension and maintenance activities, such as refactoring, are said to be negatively impacted by software complexity. The methods used to measure software product and processes complexity have been thoroughly debated in the literature. However, the discernment about the possible links between these two dimensions, particularly on the benefits of using the process perspective, has a long journey ahead.Objective: To improve the understanding of the liaison of developers’ activities and software complexity within a refactoring task, namely by evaluating if process metrics gathered from the IDE, using process mining methods and tools, are suitable to accurately classify different refactoring practices and the resulting software complexity.Method: We mined source code metrics from a software product after a quality improvement task was given in parallel to (117) software developers, organized in (71) teams. Simultaneously, we collected events from their IDE work sessions (320) and used process mining to model their processes and extract the correspondent metrics.Results: Most teams using a plugin for refactoring (JDeodorant) reduced software complexity more effectively and with simpler processes than the ones that performed refactoring using only Eclipse native features. We were able to find moderate correlations (≈43%) between software cyclomatic complexity and process cyclomatic complexity. Using only process driven metrics, we computed ≈30,000 models aiming to predict the type of refactoring method (automatic or manual) teams had used and the expected level of software cyclomatic complexity reduction after their work sessions. The best models found for the refactoring method and cyclomatic complexity level predictions, had an accuracy of 92.95% and 94.36%, respectively.Conclusions: We have demonstrated the feasibility of an approach that allows building cross-cutting analytical models in software projects, such as the one we used for detecting manual or automatic refactoring practices. Events from the development tools and support activities can be collected, transformed, aggregated, and analyzed with fewer privacy concerns or technical constraints than source code-driven metrics. This makes our approach agnostic to programming languages, geographic location, or development practices, making it suitable for challenging contexts, such as, in modern global software development where many projects adopt agile methodologies, and low/no code platforms. Initial findings are encouraging, and lead us to suggest practitioners may use our method in other development tasks, such as, defect analysis and unit or integration tests.

Comparative proteomics of thylakoids from Arabidopsis grown in laboratory and field conditions.

Compared to controlled laboratory conditions, plant growth in the field is rarely optimal since it is frequently challenged by large fluctuations in light and temperature which lower the efficiency of photosynthesis and lead to photo‐oxidative stress. Plants grown under natural conditions therefore place an increased onus on the regulatory mechanisms that protect and repair the delicate photosynthetic machinery. Yet, the exact changes in thylakoid proteome composition which allow plants to acclimate to the natural environment remain largely unexplored. Here, we use quantitative label‐free proteomics to demonstrate that field‐grown Arabidopsis plants incorporate aspects of both the low and high light acclimation strategies previously observed in laboratory‐grown plants. Field plants showed increases in the relative abundance of ATP synthase, cytochrome b 6 f, ferredoxin‐NADP+ reductases (FNR1 and FNR2) and their membrane tethers TIC62 and TROL, thylakoid architecture proteins CURT1A, CURT1B, RIQ1, and RIQ2, the minor monomeric antenna complex CP29.3, rapidly‐relaxing non‐photochemical quenching (qE)‐related proteins PSBS and VDE, the photosystem II (PSII) repair machinery and the cyclic electron transfer complexes NDH, PGRL1B, and PGR5, in addition to decreases in the amounts of LHCII trimers composed of LHCB1.1, LHCB1.2, LHCB1.4, and LHCB2 proteins and CP29.2, all features typical of a laboratory high light acclimation response. Conversely, field plants also showed increases in the abundance of light harvesting proteins LHCB1.3 and CP29.1, zeaxanthin epoxidase (ZEP) and the slowly‐relaxing non‐photochemical quenching (qI)‐related protein LCNP, changes previously associated with a laboratory low light acclimation response. Field plants also showed distinct changes to the proteome including the appearance of stress‐related proteins ELIP1 and ELIP2 and changes to proteins that are largely invariant under laboratory conditions such as state transition related proteins STN7 and TAP38. We discuss the significance of these alterations in the thylakoid proteome considering the unique set of challenges faced by plants growing under natural conditions.

Aplikasi Pengolahan Data Penjualan Pembangkit Listrik Tenaga Surya Menggunakan Model View Controler Berbasis Framework Codelgniter Dan White Box Testing

Solar power plants are engaged in providing services and selling solar cells. The design of the sales data processing application uses a database and generates archiving data reports on the sales data report maker. To meet the needs of inputting sales data, there is a special section that handles the admin section, the cashier section, but this work system already uses a web-based data processing application. The method used in data processing applications is in the form of observation, interviews, and documentation. While the application design method uses document flow charts, data flow diagrams, and use cases. Supporting software in making data processing applications using the php database programming language used mysql. The design of the product sales data application produces a database design, namely the goods data and sales table. Black box test results show the features in the application run accordingly and the white box test results in the login menu generate the same region and path value of 7 for the value of Cyclomatic Complexity=7 , Region=7 and Independent Path=7, meaning that the logic used in the program code is appropriate and running and in accordance with the research objectives that the input process of stock goods and transactions can be done optimally.

Using K-Means Algorithm to Investigate Community Behavior in Treating Waste toward Smart City

<p class='IJASEITAbtract'>Urban communities' behavior in disposing and managing waste around the house is still very concerning. This study aims to analyze and classify community behavior patterns related to waste disposal to help the Makassar City Government overcome waste problems. The methods and techniques applied are using the Waterfall model and the K-Means Algorithm. The stages of analysis and classification of behavior patterns can assist city governments in making strategic decisions. The variables determined include education, age, occupation, free time, smoking status, and questionnaire (outreach, law, knowledge, and facilities). The K-Means algorithm calculation results are 39 people in cluster 1 and 10 people in cluster 2. In cluster 1, it is known that the community tends to take care of the environment in the sub-district where the community lives. Cluster 2 has a low average yield, such as people who do not know the impact laws, inadequate sanitation facilities, and lack of proper waste management towards smart city governance. Based on testing for each method, the Cyclomatic Complexity value generated is four. Therefore, it can be concluded that the white box testing on the K-Means algorithm runs well because each test produces the same value. The government and the community have a responsibility to carry out waste management properly, make use of goods and refill facilities, know the legal impact of littering and follow the socialization held by the Makassar City Government.

Identification of the Program Text and Algorithm Correspondence Based on the Control Graph Constructive-Synthesizing Model

Purpose.The main article purpose is to develop and implement the method for identifying the correspondence between the text and the program algorithm represented in the form of a flowchart. As part of the method work conversion of the input data in the graph representation is performed by means of constructive-synthesizing modelling. Methodology. To compare the program text and flowchart, we constructed a mathematical model for converting the program code into a graphical representation on the basis of control structures. To build the model, the apparatus of constructive-synthesizing modeling and its methods were used: specialization, concretization, interpretation and implementation. The graph representation of the text is created taking into account the control operators; the flowcharts are created using a json file containing the description of the diagram elements and their links. To compare the graphs we use the breadth-first search algorithm with the number of identical vertices being counted. To obtain the software implementation of the developed method and models we used the technology of object-oriented programming and CASE-technologies, which are based on the unified modeling language UML. Findings A method is proposed to present the text and the flowchart of the program in a uniform format of the directed graph (control graph) and to evaluate their correspondence by the number of identical vertices. For its formalization and automated usage, we developed constructive-synthesizing models of input data transformers. The program application was developed based on the models and the method. Originality. The methods of constructive-synthesizing modeling in the tasks of processing texts written in artificial languages were further developed. We developed the system of constructors, which transforms text program in C++ into a control graph. Practical value. The results are significant for solving such tasks as assembling program texts for borrowings detection, determining the correspondence of the program algorithms and their software implementations to improve coding skills. The graph representation produced by the developed system of constructors can be used for investigation of influence of optimization and code refactoring on the program complexity using McCabe's metrics.

Influence of the Reaction Sequence on the Complexation of an NS4-Macrocycle with CdII and CuI Salts Leading to the Formation of Supramolecular Isomers and an Endo/Exocyclic CuI Complex.

In the construction of metallosupramolecules, the reaction sequence in a three-reactant system (one ligand plus two metal ions) could be one of the controlling factors influencing the outcome of the reaction. In this work, the formation of supramolecular isomers (1 and 2) and an endo/exocyclic Cu+ complex (4) of the NS4-macrocycle (L) via different sequential metal addition protocols (routes I-III) is reported. In one-pot reactions of L with Cu(CH3CN)4PF6 in the absence (route I) and presence (route II) of CdI2, a cyclic dimer CuI complex, [Cu2(L)2](PF6)2 (1), and a one-dimensional coordination polymer, [Cu2(L)2]n·n[CdI4] (2), were obtained, respectively. Interestingly, the complex cations in 1 and 2 are supramolecular isomers formed via cyclization and polymerization upon complexation, respectively, probably due to different geometric and electronic complementarities, via the C-H···X- hydrogen bonds, between L and the counterion. In the two-step reaction (route III), an endocyclic Cd2+ complex, [Cd(L)I2] (3), obtained in the first step was utilized in the following reaction with Cu(CH3CN)4PF6, giving rise to an endo/exocyclic tetranuclear Cu+ complex, [Cu4(L)2(CH3CN)6](PF6)4 (4), via Cd2+ → 2Cu+ substitution, which is not accessible by conventional procedures. Solution studies by comparative NMR and electrospray ionization mass spectroscopy also support metal substitution by showing the stronger binding affinity of Cu+ over Cd2+. These results demonstrate that the metal substitution protocol could be useful for reaching novel metallosupramolecules difficult to obtain by other methods.

A Cyclic Iminoborane-NHC Adduct: Synthesis, Reactivity, and Bonding Analysis.

Lewis-base coordinated iminoborane adducts, in contrast to their isoelectronic analogue imines, remain largely unexplored given the lack of efficient synthetic strategies for generating robust compounds. Herein, we report the preparation of a cyclic amino iminoborane carbene complex 2 obtained in quantitative yield by adding NHC to the 1,8-(trimethylsilyl)aminonaphthalene complex of boron 1 to induce the elimination of trimethylsilyl chloride (TMSCl). The iminoborane-NHC adduct 2 shows unprecedented thermal stability both in the solid and solution phases, due to the rigid, pre-established geometry of the 1,8-diaminonaphthalene scaffold. Theoretical calculations reveal an exceptionally strong iminoborane-NHC bond as a consequence of the enhanced boron-center acidity in combination with the lower steric and electronic shielding. We show that the chemical bond can be understood as donor-acceptor interaction, leading to a different kind of electronic situation of the B═N π-bond. The high conjugation between the pz-lone pair of the tricoordinated sp2 hybridized N atom and the B═N π-system results in a particularly long B═N double bond distance. Taking advantage of the pendant lone pair of the dicoordinated sp2 hybridized N atom, the iminoborane-NHC adduct gives access to NHC-stabilized borenium cation 3 through the reaction with trimethylsilyl triflate (Me3SiOTf) or to the gallium adduct 4 by reacting with GaCl3. Incorporating an iminoborane functional group into a π-conjugated system brings a new bonding situation for broadening the scope of BN-containing polyaromatic systems.

Robust synchronization of uncertain Markovian jumping complex interconnected neural networks via adaptive fault-tolerant control

This article inspects the problem of robust synchronization for uncertain Markovian jumping complex interconnected neural networks with randomly occurring uncertainties and time delays. The uncertainties considered here occur randomly and are assumed to follow certain mutually uncorrelated Bernoulli distributed white noise sequences. The presence of sensor faults may cause degradation or even instability of the entire network. Therefore, control laws are designed with sensor faults to ensure the controlled synchronization of the complex interconnected neural networks. Three types of fault-tolerant controls are designed based on the Lyapunov stability theory and adaptive schemes which include passive and adaptive fault-tolerant control laws. By constructing a new Lyapunov-Krasovskii functional (LKF) and by using Jensen’s inequality with a free-weighting matrix approach, some new delay-dependent synchronization criteria are obtained in terms of linear matrix inequalities (LMIs). By using the Lyapunov stability theory, the existence condition for the adaptive controller that guarantees the robust mean-square synchronization of complex interconnected neural networks in terms of LMIs are derived. Finally, a numerical example is presented to demonstrate the performance of the developed approach.

White Box Testing Pada Sistem Manajemen Pengelolaan Surat di Sekretariat Rektorat Berbasis Web

Letter is a written communication medium that is made or received by a party related to the implementation of a main task and function of the organization to another party. The Office of the Secretariat of the Rectorate of the National University, which is the working unit for managing correspondence for the leadership, is currently still using manual mail management, both in recording, archiving and disposition. Therefore, the authors designed a mail management system at the secretariat of the web-based rectorate with the PHP programming language and MYSQL database that are easily accessible online via internet browsing, with the aim of making it easier for employees to manage letters, so that work efficiency has increased, disposition becomes faster. and accurate, and the mail management system is becoming more integrated and computerized. The white box testing method is used in system testing, where the results obtained are of the same value for the number of Cyclomatic Complexity City (CC) = 22, Region (R) = 22 and Independent Path = 22, meaning that the logic flow of this system shows that the mail management system is based on This website is correct and appropriate, and free from logical errors.

Investigation of Solvatomorphism and Its Photophysical Implications for Archetypal Trinuclear Au3(1-Methylimidazolate)3.

A new solvatomorph of [Au3(1-Methylimidazolate)3] (Au3(MeIm)3)—the simplest congener of imidazolate-based Au(I) cyclic trinuclear complexes (CTCs)—has been identified and structurally characterized. Single-crystal X-ray diffraction revealed a dichloromethane solvate exhibiting remarkably short intermolecular Au⋯Au distances (3.2190(7) Å). This goes along with a dimer formation in the solid state, which is not observed in a previously reported solvent-free crystal structure. Hirshfeld analysis, in combination with density functional theory (DFT) calculations, indicates that the dimerization is generally driven by attractive aurophilic interactions, which are commonly associated with the luminescence properties of CTCs. Since Au3(MeIm)3 has previously been reported to be emissive in the solid-state, we conducted a thorough photophysical study combined with phase analysis by means of powder X-ray diffraction (PXRD), to correctly attribute the photophysically active phase of the bulk material. Interestingly, all investigated powder samples accessed via different preparation methods can be assigned to the pristine solvent-free crystal structure, showing no aurophilic interactions. Finally, the observed strong thermochromism of the solid-state material was investigated by means of variable-temperature PXRD, ruling out a significant phase transition being responsible for the drastic change of the emission properties (hypsochromic shift from 710 nm to 510 nm) when lowering the temperature down to 77 K.

Can metal halides be electron donors in σ‐hole and π‐hole tetrel bonds? Cooperativity with an alkaline‐earth bond

AbstractThe tetrel bond in the complexes of TH3F‐MX2 (T = C‐Sn, M = Be and Mg; X = F, Cl, and Br) and F2CO‐MX2 has been explored and it is also called carbon bond for T = C. The results show that the halogen atom of metal halide can engage in a σ‐hole interaction with TH3F and a π‐hole interaction with F2CO. A linear carbon‐bonded complex is formed between CH3F and MX2, while a cyclic structure is obtained in other complexes, where a tetrel bond coexists with an alkaline‐earth bond. The carbon bond between CH3F and MX2 is weak with interaction energy less than 9 kJ/mol, depending on the nature of M and X atoms. The alkaline‐earth bond is stronger than the tetrel bond in the cyclic complexes and both interactions display positive cooperativity. The F2CO‐MX2 complex is more stable than TH3F‐MX2, mainly due to the stronger alkaline‐earth bond in the former. The π‐hole carbon bond is also stronger than the σ‐hole carbon bond when a metal halide acts as an electron donor. Such tetrel‐bonded structures involving metal halides have been found in the Cambridge Structural Database.

Cyclic Diplatinum Complex with a Tröger's Base Ligand and Reductive Elimination of a Highly Strained Ring Molecule

The cover picture shows the structures of Tröger's base derivatives in this study. Tröger's base has a compact molecular structure with two chiral nitrogen atoms (upper left). A cyclic diplatinum complex with C-bonded Tröger's base ligand is synthesized and characterized (lower left). This complex undergoes reductive elimination of the cyclic dimer of Tröger's base (bottom right). Due to the conjugated biphenylene groups, the molecule contains the angle between the aromatic planes of Tröger's base, 65–66°, which is much smaller than those previously reported for Tröger's base derivatives (88–114°) (https://doi.org/10.1002/zaac.202100085).

Synthetic, structural and biochemical approach of the macro cyclic complexes of manganese (II) and tin (II)

This study presents a brief account of the synthesis, spectroscopic and biochemical aspects of tetraazamacrocyclic complexes of managenese (II) and tin (II). The complexes of manganese (II) and tin (II) were prepared by the template condensation of metal salts with phthalic acid and diamines (1,3-diaminobutane and 1,4- diaminobutane) in 1:2:2 molar ratio. All the complexes are soluble in polar solvent. The structures were investigated using elemental analyses, molecular weight determinations, conductivity measurements, electronic, infrared and X-Ray diffraction spectral studies. The elemental analyses are consistent with the formation of complexes of the type [M(Macn)Cl2] (where, n=1-2, M=Mn(II), Sn (II)). An octahedral geometry around the metal ion is suggested for these complexes. All the complexes were screened against several fungi and bacteria to assess its biological properties and results are discussed.The importance of this method includes shorter reaction time and high yield.

Restoration of Legacy Parallelism: Transforming Pthreads into Farm and Pipeline Patterns

Parallel patterns are a high-level programming paradigm that enables non-experts in parallelism to develop structured parallel programs that are maintainable, adaptive, and portable whilst achieving good performance on a variety of parallel systems. However, there still exists a large base of legacy-parallel code developed using ad-hoc methods and incorporating low-level parallel/concurrency libraries such as pthreads without any parallel patterns in the fundamental design. This code would benefit from being restructured and rewritten into pattern-based code. However, the process of rewriting the code is laborious and error-prone, due to typical concurrency and pthreading code being closely intertwined throughout the business logic of the program. In this paper, we present a new software restoration methodology, to transform legacy-parallel programs implemented using pthreads into structured farm and pipeline patterned equivalents. We demonstrate our restoration technique on a number of benchmarks, allowing the introduction of patterned farm and pipeline parallelism in the resulting code; we record improvements in cyclomatic complexity and speedups on a number of representative benchmarks.

Resource-effective quantum key distribution: a field trial in Padua city center.

Field trials are of key importance for novel technologies seeking commercialization and widespread adoption. This is also the case for quantum key distribution (QKD), which allows distant parties to distill a secret key with unconditional security. Typically, QKD demonstrations over urban infrastructures require complex stabilization and synchronization systems to maintain a low quantum bit error and high secret key rates over time. Here we present a field trial that exploits low-complexity self-stabilized hardware and a novel synchronization technique, to perform QKD over optical fibers deployed in the city center of Padua, Italy. Two techniques recently introduced by our research group are evaluated in a real-world environment: the iPOGNAC polarization encoder was used for preparation of the quantum states, while temporal synchronization was performed with the Qubit4Sync algorithm. The results here presented demonstrate the validity and robustness of our resource-effective QKD system, which can be easily and rapidly installed in an existing telecommunication infrastructure, thus representing an important step towards mature, efficient, and low-cost QKD systems.

Cyclic Diplatinum Complex with a Tröger's Base Ligand and Reductive Elimination of a Highly Strained Ring Molecule

AbstractDistannylated Tröger's base Me3Sn−C6H3−C3N2H6−C6H3−SnMe3 (TB‐(SnMe3)2) reacted with PtCl2(cod) (cod=1,5‐cyclooctadiene) to yield a mixture of macrocyclic diplatinum complex composed of two Tröger's base ligands and two Pt(cod) units (1) and oligomers of the −C6H3−C3N2H6−C6H3−Pt(cod)‐ units (2). Heating a toluene solution of isolated complex 1 and excess PPh3 caused reductive elimination of a cyclic dimer of Tröger's base. The product is obtained in a diastereoselective manner. 1H NMR and DFT studies suggested the molecular structure having the Tröger's base units with smaller arylene rings (ϕ=65–66°) than that reported for dimethyl Tröger's base (ϕ=103°).

Evolution of the Unix System Architecture: An Exploratory Case Study

Unix has evolved for almost five decades, shaping modern operating systems, key software technologies, and development practices. Studying the evolution of this remarkable system from an architectural perspective can provide insights on how to manage the growth of large, complex, and long-lived software systems. Along main Unix releases leading to the FreeBSD lineage we examine core architectural design decisions, the number of features, and code complexity, based on the analysis of source code, reference documentation, and related publications. We report that the growth in size has been uniform, with some notable outliers, while cyclomatic complexity has been religiously safeguarded. A large number of Unix-defining design decisions were implemented right from the very early beginning, with most of them still playing a major role. Unix continues to evolve from an architectural perspective, but the rate of architectural innovation has slowed down over the system's lifetime. Architectural technical debt has accrued in the forms of functionality duplication and unused facilities, but in terms of cyclomatic complexity it is systematically being paid back through what appears to be a self-correcting process. Some unsung architectural forces that shaped Unix are the emphasis on conventions over rigid enforcement, the drive for portability, a sophisticated ecosystem of other operating systems and development organizations, and the emergence of a federated architecture, often through the adoption of third-party subsystems. These findings have led us to form an initial theory on the architecture evolution of large, complex operating system software.

A decomposition-ensemble model with regrouping method and attention-based gated recurrent unit network for energy price prediction

Accurately forecasting the energy price has increasingly attracted attention of researchers. A novel hybrid forecasting model, termed as ICEEMDAN-R-AttGRU, is for the first time proposed to enhance the forecasting accuracy of energy price series (Brent oil, DCE coke and NYMEX natural gas). In the proposed model, the improved CEEMDAN is taken to decompose the raw prices into multiple subcomponents. Then, a novel regrouping method based on frequency is put forward to reconstruct the subcomponents to reduce the forecasting workload and diminish the chance of errors. The attention-based GRU network is adopted to perform the forecasting task for each component, in which the attention mechanism is applied to allocate and optimize weights to the input elements in GRU. The empirical results measured by various performance metrics verify that the predictive accuracy is evidently improved by ICEEMDAN-R-AttGRU model in most cases compared with single models, ICEEMDAN-based and ICEEMDAN-R-based hybrid models. Besides, a new multi-scale composite complexity synchronization (MCCS) statistic is introduced into model measurement, which further confirms the competitive prediction ability of ICEEMDAN-R-AttGRU in different exponent and time scales.