Search results for: middle molecules

Authors: Agnieszka Krzemińska, Katarzyna Świderek, Vicente Molinier, Piotr Paneth

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In order to understand in details the interactions between ligands and the enzyme isotope effects were studied between clinically used drugs that bind in the active site of Human Immunodeficiency Virus Reverse Transcriptase, HIV-1 RT, as well as triazole-based inhibitor that binds in the allosteric pocket of this enzyme. The magnitudes and origins of the resulting binding isotope effects were analyzed. Subsequently, binding isotope effect of the same triazole-based inhibitor bound in the active site were analyzed and compared. Together, these results show differences in binding origins in two sites of the enzyme and allow to analyze binding mode and place of newly synthesized inhibitors. Typical protocol is described below on the example of triazole ligand in the allosteric pocket. Triazole was docked into allosteric cavity of HIV-1 RT with Glide using extra-precision mode as implemented in Schroedinger software. The structure of HIV-1 RT was obtained from Protein Data Bank as structure of PDB ID 2RKI. The pKa for titratable amino acids was calculated using PROPKA software, and in order to neutralize the system 15 Cl- were added using tLEaP package implemented in AMBERTools ver.1.5. Also N-terminals and C-terminals were build using tLEaP. The system was placed in 144x160x144Å3 orthorhombic box of water molecules using NAMD program. Missing parameters for triazole were obtained at the AM1 level using Antechamber software implemented in AMBERTools. The energy minimizations were carried out by means of a conjugate gradient algorithm using NAMD. Then system was heated from 0 to 300 K with temperature increment 0.001 K. Subsequently 2 ns Langevin−Verlet (NVT) MM MD simulation with AMBER force field implemented in NAMD was carried out. Periodic Boundary Conditions and cut-offs for the nonbonding interactions, range radius from 14.5 to 16 Å, are used. After 2 ns relaxation 200 ps of QM/MM MD at 300 K were simulated. The triazole was treated quantum mechanically at the AM1 level, protein was described using AMBER and water molecules were described using TIP3P, as implemented in fDynamo library. Molecules 20 Å apart from the triazole were kept frozen, with cut-offs established on range radius from 14.5 to 16 Å. In order to describe interactions between triazole and RT free energy of binding using Free Energy Perturbation method was done. The change in frequencies from ligand in solution to ligand bounded in enzyme was used to calculate binding isotope effects.

Keywords: binding isotope effects, molecular dynamics, HIV, reverse transcriptase

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Authors: Shantosa Yudha Siswanto, Julianto Arief Ismail, Rachmat Harryanto

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The research was conducted with the aim to know the effect of slope steepness on organic carbon and soil erodibility as erosion factor. This research was conducted from September to December 2011 in the Raharja and Cinanjung Village, Tanjungsari, Sumedang District, West Java, Indonesia. The study was carried out using physiographic free survey method, which is a survey based on land physiographic appearance. Soil sampling was carried out into transect on the similarity slope without calculating the point of observation range. Soil sampling was carried onto three classes of slope as follows: 8–15%, 15–25% and 25–40%. Each was consisted of three slope position i.e. top slope, middle slope and down slope and four samples of soil were taken from each of them, hence it resulted in 36 points of observation. The results of this study indicate that gradient of slope have some significant contribution in every sample. Middle slope with gradient 26-40% has the highest potential erosion occurrence. It has organic C content (0.84%) and the highest erodibility value (0.1092).

Keywords: slope steepness, erosion, erodibility, erosion factor

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Authors: Ilja Käch, Abdul R. Jandali, Nadja Zechmann-Müller

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Introduction: We discuss the treatment of two young male patients suffering from scaphoid non-union after a traumatic scaphoid fracture. The currently propagated techniques for treating a scaphoid non-union in children are either the operative reconstruction of the scaphoid or the conservative treatment with splinting in a scaphoid cast. Cases: In the first case, we operated on a 13 years old male patient with a posttraumatic scaphoid non-union in the middle third with a humpback deformity. We resected the middle third of the scaphoid and grafted the defect with an iliac crest bone, and the DISI-Deformity was reduced. Fixation was performed with K-Wires and immobilisation in a scaphoid cast. In the second case a 13 years old male patient also with a posttraumatic scaphoid non-union in the middle third and humpback deformity, DISI-deformity, was treated conservatively. Immobilisation in a scaphoid cast for four months was performed. Results: Operative: One year postoperatively the patient achieved a painless free arc of motion. Flexion/Extension 70/0/60°, Radial-/Ulnarduction 30/0/30° and Pro-/Supination 90/0/90°. The computer tomogram showed complete consolidation and bony fusion of the iliac crest bone. Conservative: Six to eight months after conservative treatment the patient demonstrated painless motion and AROM Flexion/Extension 80/0/80°, Radial-/Ulnarduction and Pro-/Supination in maximum range. Complete consolidation in the computer tomogram with persistent humpback- and DISI deformity. Conclusion: In the literature, both techniques are described, either the operative scaphoid reconstruction or the conservative treatment with splinting. In our cases, both the operative and conservative treatments showed comparable good results. However, the humpback- and DISI deformity can only be addressed with a surgical approach.

Keywords: scaphoid, non-union, trauma, operative vs. non operative

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Authors: Ranj Tofik

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This article aims to demonstrate a link and/or correlation between the rise of China and the US-Iranian conflict, from a US point of view. To demonstrate this link, the article relies on the content analysis method by analyzing American reports and official data. This article concludes that this correlation indicates that the more China rises and the greater the Chinese threat to America, the more changes will occur in the US-Iranian conflict and the US actions regarding this conflict will increase – in the form of imposing sanctions and using means of pressure on Iran, or trying to reach an agreement and settlement with Iran. This article, via noting and observing that correlation, also claims that before 2012, Iran was a regional threat to US interests in the Middle East. However, after 2012 when the rise of China became one of the major threats to America, Iran, because of its rapprochement with China, became also part of the Chinese threat, which is a threat to America's global standing. In addition, observing this correlation indicates the possibility that the rise of China and its threat to the USA has become one of the main drivers in the US-Iranian conflict. Consequently, it can be said that Iran has become a vital issue in the US-China rivalry, as it has become an appropriate gateway for China to enter the Middle East and undermine US hegemony there.

Keywords: China-Iran relations, China's rise, JCPOA, US-Chinese competition, US-Iranian conflict

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Authors: Brayan Daniel Riascos Arteaga, Carlos Costa Perez

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Landfill leachate has an important fraction of humic substances, mainly humic acids (HAs), which often represent more than half value of COD, specially in liquids proceeded from composting processes of organic fraction of solid wastes. We propose in this article a new method of pH sensitive flocculation for COD and colour reduction in landfill leachate based on the chemical properties of HAs. Landfill leachate with a high content of humic acids can be efficiently treated by pH sensitive flocculation at pH 2.0, reducing COD value in 86.1% and colour in 84.7%. Mechanism of pH sensitive flocculation is based in protonation first of phenolic groups and later of carboxylic acid groups in the HAs molecules, resulting in a reduction of Zeta potential value. For pH over neutrality, carboxylic acid and phenolic groups are ionized and Zeta potential increases in absolute value, maintaining HAs in suspension as colloids and conducting flocculation to be obstructed. Ionized anionic groups (carboxylates) can interact electrostatically with cations abundant in leachate (site binding) aiding to maintain HAs in suspension. Simulation of this situation and ideal visualization of Zeta potential behavior is described in the paper and aggregation of molecules by H-bonds is proposed as the main step in separation of HAs from leachate and reduction of COD value in this complex liquid. CHNS analysis, FT-IR spectrometry and UV–VIS spectrophotometry show chemical elements content in the range of natural and commercial HAs, clear aromaticity and carboxylic acids and phenolic groups presence in the precipitate from landfill leachate

Keywords: landfill leachate, humic acids, COD, chemical treatment, flocculation

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Authors: Alexis Polanco Jr, Tsai Lu Liu

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Research on digital assessment for deaf and hard of hearing (DHH) students is negligible. Part of this stems from the DHH assessment design existing at the intersection of the emergent disciplines of usability, accessibility, and child-computer interaction (CCI). While these disciplines have some prevailing guidelines —e.g. in user experience design (UXD), there is Jacob Nielsen’s 10 Usability Heuristics (Nielsen-10); for accessibility, there are the Web Content Accessibility Guidelines (WCAG) & the Principles of Universal Design (PUD)— this research was unable to uncover a unified set of guidelines. Given that digital assessments have lasting implications for the funding and shaping of U.S. school districts, it is vital that cross-disciplinary guidelines emerge. As a result, this research seeks to provide a framework by which these disciplines can share knowledge. The framework entails a process of asking subject-matter experts (SMEs) and design & development professionals to self-describe their fields of expertise, how their work might serve DHH students, and to expose any incongruence between their ideal process and what is permissible at their workplace. This research used two rounds of mixed methods. The first round consisted of structured interviews with SMEs in usability, accessibility, CCI, and DHH education. These practitioners were not designers by trade but were revealed to use designerly work processes. In addition to asking these SMEs about their field of expertise, work process, etc., these SMEs were asked to comment about whether they believed Nielsen-10 and/or PUD were sufficient for designing products for middle-school DHH students. This first round of interviews revealed that Nielsen-10 and PUD were, at best, a starting point for creating middle-school DHH design guidelines or, at worst insufficient. The second round of interviews followed a semi-structured interview methodology. The SMEs who were interviewed in the first round were asked open-ended follow-up questions about their semantic understanding of guidelines— going from the most general sense down to the level of design guidelines for DHH middle school students. Designers and developers who were never interviewed previously were asked the same questions that the SMEs had been asked across both rounds of interviews. In terms of the research goals: it was confirmed that the design of digital assessments for DHH students is inherently cross-disciplinary. Unexpectedly, 1) guidelines did not emerge from the interviews conducted in this study, and 2) the principles of Nielsen-10 and PUD were deemed to be less relevant than expected. Given the prevalence of Nielsen-10 in UXD curricula across academia and certificate programs, this poses a risk to the efficacy of DHH assessments designed by UX designers. Furthermore, the following findings emerged: A) deep collaboration between the disciplines of usability, accessibility, and CCI is low to non-existent; B) there are no universally agreed-upon guidelines for designing digital assessments for DHH middle school students; C) these disciplines are structured academically and professionally in such a way that practitioners may not know to reach out to other disciplines. For example, accessibility teams at large organizations do not have designers and accessibility specialists on the same team.

Keywords: deaf, hard of hearing, design, guidelines, education, assessment

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Authors: Neslihan Sahin Celik, Ali Eraslan

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Mathematical model and modeling are one of the topics that have been intensively discussed in recent years. In line with the results of the PISA studies, researchers in many countries have begun to question how much students in school-education system are prepared to solve the real-world problems they encounter in their future professional lives. As a result, many mathematics educators have begun to emphasize the importance of new skills and understanding such as constructing, Hypothesizing, Describing, manipulating, predicting, working together for complex and multifaceted problems for success in beyond the school. When students increasingly face this kind of situations in their daily life, it is important to make sure that students have enough experience to work together and interpret mathematical situations that enable them to think in different ways and share their ideas with their peers. Thus, model eliciting activities are one of main tools that help students to gain experiences and the new skills required. This research study was carried on the town center of a big city located in the Black Sea region in Turkey. The participants were eighth-grade students in a middle school. After a six-week preliminary study, three students in an eighth-grade classroom were selected using criterion sampling technique and placed in a focus group. The focus group of three students was videotaped as they worked on a model eliciting activity, the Summer Job Problem. The conversation of the group was transcribed, examined with students’ written work and then qualitatively analyzed through the lens of Blum’s (1996) modeling processing cycle. The study results showed that eighth grade students can successfully work with the model eliciting, develop a model based on the two parameters and review the whole process. On the other hand, they had difficulties to relate parameters to each other and take all parameters into account to establish the model.

Keywords: middle school, modeling, mathematical modeling, summer job problem

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Authors: Tien S. H. Pham, Peter J. Mahon, Aimin Yu

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The detection of drug molecules by voltammetry has attracted great interest over the past years. However, many drug molecules exhibit poor electrochemical signals at common electrodes which result in low sensitivity in detection. An efficient way to overcome this problem is to modify electrodes with functional materials. Since discovered in 2004, graphene (or reduced graphene oxide) has emerged as one of the most studied two-dimensional carbon materials in condensed matter physics, electrochemistry, and so on due to its exceptional physicochemical properties. Additionally, the continuous development of technology has opened the new window for the successful fabrications of many novel graphene-based nanomaterials to serve in electrochemical analysis. This research aims to synthesize and characterize gold nanoparticle coated beta-cyclodextrin functionalized reduced graphene oxide (Au NP–β-CD–RGO) nanocomposites with highly conductive and strongly electro-catalytic properties as well as excellent supramolecular recognition abilities for the modification of electrodes. The electrochemical responses of ciprofloxacin at the as-prepared nanocomposite modified electrode was effectively amplified was much higher in comparison with that at the bare electrode. The linear concentration range was from 0.01 to 120 µM, with a detection limit of 2.7 nM using differential pulse voltammetry. Thus, Au NP–β-CD–RGO nanocomposite has great potential as an ideal material to construct sensitive sensors for the electrochemical determination of ciprofloxacin or similar antibacterial drugs in the future based on its excellent stability, selectivity, and reproducibility.

Keywords: Au nanoparticles, β-CD, ciprofloxacin, electrochemical determination, graphene based nanomaterials

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Authors: Gabriel S. De Oliveira, Patricia P. Adriani, Christophe Moriseau, Bruce D. Hammock, Felipe S. Chambergo

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Epoxide hydrolases (EHs) are enzymes that are present in all living organisms and catalyze the hydrolysis of epoxides to the corresponding vicinal diols. EHs have high biotechnological interest for the drug design and chemistry transformation for industries. In this study, we describe the identification of substrates and inhibitors of epoxide hydrolase enzyme from the filamentous fungus Trichoderma reesei (TrEH), and these inhibitors showed the fungal growth inhibitory activity. We have used the cloned enzyme and expressed in E. coli to develop the screening in the library of fluorescent substrates with the objective of finding the best substrate to be used in the identification of good inhibitors for the enzyme TrEH. The substrate (3-phenyloxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester showed the highest specific activity and was chosen for the next steps of the study. The inhibitors screening was performed in the library with more than three thousand molecules and we could identify the 6 best inhibitors. The IC50 of these molecules were determined in nM and all the best inhibitors have urea or amide in their structure, because It has been recognized that these groups fit well in the hydrolase catalytic pocket of the epoxide hydrolases. Then the growth of T. reesei in PDA medium containing these TrEH inhibitors was tested, and fungal growth inhibition activity was demonstrated with more than 60% of inhibition of fungus growth in the assay with the TrEH inhibitor with the lowest IC50. Understanding how this EH enzyme from T. reesei responds to inhibitors may contribute for the study of fungal metabolism and drug design against pathogenic fungi.

Keywords: epoxide hydrolases, fungal growth inhibition, inhibitor, Trichoderma reesei

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Authors: Dražen Cvitanić, Biljana Maljković

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This paper presents models for predicting operating speeds on tangent sections of two-lane rural roads developed on continuous speed data. The data corresponds to 20 drivers of different ages and driving experiences, driving their own cars along an 18 km long section of a state road. The data were first used for determination of maximum operating speeds on tangents and their comparison with speeds in the middle of tangents i.e. speed data used in most of operating speed studies. Analysis of continuous speed data indicated that the spot speed data are not reliable indicators of relevant speeds. After that, operating speed models for tangent sections were developed. There was no significant difference between models developed using speed data in the middle of tangent sections and models developed using maximum operating speeds on tangent sections. All developed models have higher coefficient of determination then models developed on spot speed data. Thus, it can be concluded that the method of measuring has more significant impact on the quality of operating speed model than the location of measurement.

Keywords: operating speed, continuous speed data, tangent sections, spot speed, consistency

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Authors: Hui Li, Xiongqi Pang

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In recent years, tight oil has become a hot spot for unconventional oil and gas exploration and development in the world. Dongpu Depression is a typical hydrocarbon-rich basin in the southwest of Bohai Bay Basin, in which tight sandstone oil and gas have been discovered in deep reservoirs, most of which are buried more than 3500m. The distribution and development characteristics of deep tight sandstone reservoirs need to be studied. The main source rocks in study area are dark mudstone and shale of the middle and lower third sub-member of Shahejie Formation. Total Organic Carbon (TOC) content of source rock is between 0.08-11.54%, generally higher than 0.6% and the value of S1+S2 is between 0.04–72.93 mg/g, generally higher than 2 mg/g. It can be evaluated as middle to fine level overall. The kerogen type of organic matter is predominantly typeⅡ1 andⅡ2. Vitrinite reflectance (Ro) is mostly greater than 0.6% indicating that the source rock entered the hydrocarbon generation threshold. The physical property of reservoir was poor, the most reservoir has a porosity lower than 12% and a permeability of less than 1×10⁻³μm. The rocks in this area showed great heterogeneity, some areas developed desserts with high porosity and permeability. According to SEM, thin section image, inclusion test and so on, the reservoir was affected by compaction and cementation during early diagenesis stage (44-31Ma). The diagenesis caused the tight reservoir in Huzhuangji, Pucheng, Weicheng Area while the porosity in Machang, Qiaokou, Wenliu Area was still over 12%. In the process of middle diagenesis phase stage A (31-17Ma), the reservoir porosity in Machang, Pucheng, Huzhuangji Area increased due to dissolution; after that the oil generation window of source rock was achieved for the first phase hydrocarbon charging (31-23Ma), formed the conventional oil deposition in Machang, Qiaokou, Wenliu, Huzhuangji Area and unconventional tight reservoir in Pucheng, Weicheng Area. Then came to stage B of middle diagenesis phase (17-7Ma), in this stage, the porosity of reservoir continued to decrease after the dissolution and led to a situation that the reservoirs were generally compacted. And since then, the second hydrocarbon filling has been processing since 7Ma. Most of the pools charged and formed in this procedure are tight sandstone oil reservoir. In conclusion, tight sandstone oil was formed in two patterns in Dongpu Depression, which could be concluded as ‘density fist then accumulation’ pattern and ‘accumulation fist next density’ pattern.

Keywords: accumulation process, diagenesis, dongpu depression, tight sandstone oil

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Authors: Leo Nnamdi Ozurumba-Dwight

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Messenger ribooxynucleic acid (mRNA) molecules are compositional, protein-based. These proteins, encoding mRNA molecules (which collectively connote the transcriptome), when analyzed by RNA sequencing (RNAseq), unveils the nature of gene expression in the RNA. The obtained gene expression provides clues of cellular traits and their dynamics in presentations. These can be studied in relation to function and responses. RNAseq is a practical concept in Genomics as it enables detection and quantitative analysis of mRNA molecules. Single cell and spatial transcriptomics both present varying avenues for expositions in genomic characteristics of single cells and pooled cells in disease conditions such as cancer, auto-immune diseases, hematopoietic based diseases, among others, from investigated biological tissue samples. Single cell transcriptomics helps conduct a direct assessment of each building unit of tissues (the cell) during diagnosis and molecular gene expressional studies. A typical technique to achieve this is through the use of a single-cell RNA sequencer (scRNAseq), which helps in conducting high throughput genomic expressional studies. However, this technique generates expressional gene data for several cells which lack presentations on the cells’ positional coordinates within the tissue. As science is developmental, the use of complimentary pre-established tissue reference maps using molecular and bioinformatics techniques has innovatively sprung-forth and is now used to resolve this set back to produce both levels of data in one shot of scRNAseq analysis. This is an emerging conceptual approach in methodology for integrative and progressively dependable transcriptomics analysis. This can support in-situ fashioned analysis for better understanding of tissue functional organization, unveil new biomarkers for early-stage detection of diseases, biomarkers for therapeutic targets in drug development, and exposit nature of cell-to-cell interactions. Also, these are vital genomic signatures and characterizations of clinical applications. Over the past decades, RNAseq has generated a wide array of information that is igniting bespoke breakthroughs and innovations in Biomedicine. On the other side, spatial transcriptomics is tissue level based and utilized to study biological specimens having heterogeneous features. It exposits the gross identity of investigated mammalian tissues, which can then be used to study cell differentiation, track cell line trajectory patterns and behavior, and regulatory homeostasis in disease states. Also, it requires referenced positional analysis to make up of genomic signatures that will be sassed from the single cells in the tissue sample. Given these two presented approaches to RNA transcriptomics study in varying quantities of cell lines, with avenues for appropriate resolutions, both approaches have made the study of gene expression from mRNA molecules interesting, progressive, developmental, and helping to tackle health challenges head-on.

Keywords: transcriptomics, RNA sequencing, single cell, spatial, gene expression.

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Authors: Kais Rtibi, Slimen Selmi, Jamel El-Benna, Lamjed Marzouki, Hichem Sebai

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Background: Myeloperoxidase (MPO) is a hemic enzyme found in high concentrations in the primary neutrophils granules. In addition to its peroxidase activity, it has a chlorination activity, using hydrogen peroxide and chloride ions to form hypochlorous acid, a strong oxidant, capable of chlorinating molecules. Bioactive compounds contained in medicinal plants could limit the action of this enzyme to reduce the reactive oxygen species production and its chlorination activity. The purpose of this study is to evaluate the effect of the carob aqueous extract (CAE) on the release of MPO by human neutrophils in vitro and its activity following stimulation of these cells by PMA. Methods: Neutrophils were isolated by simple sedimentation using the Dextran/Ficoll method. After stimulation with phorbol 12-myristate 13-acetate (PMA), neutrophils release the MPO by degranulation. The effect of CAE on the release of MPO was analyzed by the Western blot technique, while, its activity was determined by biochemical method using the method of 3,3', 5,5'- Tetramethylbenzidine (TMB) and hydrogen peroxide. The data were expressed as mean ± SEM. Results: The carob aqueous extract causes a decrease in MPO quantity and activity in a concentration-dependent manner which leads to a reduction of the production of the ROS (reactive oxygen species) and the protection of the molecules against oxidation and chlorination mechanisms. Conclusion: Thanks to its richness in bioactive compounds, the aqueous extract of carob could limit the development of damages related to the uncontrolled activity of MPO.

Keywords: carob, MPO, myeloperoxidase, neutrophils, PMA, phorbol 12-myristate 13-acetate

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Authors: Ibrahim Malik, M. Ikramullah al Kambuna

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Today the crisis of understanding in Islamic values has been extended to the architectural design. The majority of Muslim Architects when they designed Islamic Architectural building always stuck in cultural symbols, forms of facade, carvings calligraphy, and all of things which intimately associated with middle eastern culture. As well as the interpretation of symbols form, by designing a dome in every mosque, calligraphy carving in the interior of the mosque, and the other elements in the building which interpreted to the middle east culture. So here there are problems in understanding the meaning of Islam with Kaffah (overall), which appeared a distortion of understanding to distinguish between cultural and theological values in a design. This paper will try to evaluate the design of a contemporary mosque in Indonesia, with case studies in Jogokariyan Mosque Yogyakarta Indonesia. The building evaluation are focused in building function , aesthetic, comfort, and security. And finally from this research should be found the results of the integrated design evaluation of a contemporary mosque which based on the study of the Quran and Hadith.

Keywords: evaluation, islamic concept, mosque, Hadith, Quran

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Authors: Sofia Dokuka, Liz Lockhart, Alex Furman

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Organizational hierarchy, traditionally composed of individual contributors, middle management, and executives, is enhanced by the understanding of informal social roles. These roles, identified with organizational network analysis (ONA), might have an important effect on organizational functioning. In this paper, we identify three social roles – influencers, bridges, and soloists, and provide empirical analysis based on real-world organizational networks. Influencers are employees with broad networks and whose contacts also have rich networks. Influence is calculated using PageRank, initially proposed for measuring website importance, but now applied in various network settings, including social networks. Influencers, having high PageRank, become key players in shaping opinions and behaviors within an organization. Bridges serve as links between loosely connected groups within the organization. Bridges are identified using betweenness and Burt’s constraint. Betweenness quantifies a node's control over information flows by evaluating its role in the control over the shortest paths within the network. Burt's constraint measures the extent of interconnection among an individual's contacts. A high constraint value suggests fewer structural holes and lesser control over information flows, whereas a low value suggests the contrary. Soloists are individuals with fewer than 5 stable social contacts, potentially facing challenges due to reduced social interaction and hypothetical lack of feedback and communication. We considered social roles in the analysis of real-world organizations (N=1,060). Based on data from digital traces (Slack, corporate email and calendar) we reconstructed an organizational communication network and identified influencers, bridges and soloists. We also collected employee engagement data through an online survey. Among the top-5% of influencers, 10% are members of the Executive Team. 56% of the Executive Team members are part of the top influencers group. The same proportion of top influencers (10%) is individual contributors, accounting for just 0.6% of all individual contributors in the company. The majority of influencers (80%) are at the middle management level. Out of all middle managers, 19% hold the role of influencers. However, individual contributors represent a small proportion of influencers, and having information about these individuals who hold influential roles can be crucial for management in identifying high-potential talents. Among the bridges, 4% are members of the Executive Team, 16% are individual contributors, and 80% are middle management. Predominantly middle management acts as a bridge. Bridge positions of some members of the executive team might indicate potential micromanagement on the leader's part. Recognizing the individuals serving as bridges in an organization uncovers potential communication problems. The majority of soloists are individual contributors (96%), and 4% of soloists are from middle management. These managers might face communication difficulties. We found an association between being an influencer and attitude toward a company's direction. There is a statistically significant 20% higher perception that the company is headed in the right direction among influencers compared to non-influencers (p < 0.05, Mann-Whitney test). Taken together, we demonstrate that considering social roles in the company might indicate both positive and negative aspects of organizational functioning that should be considered in data-driven decision-making.

Keywords: organizational network analysis, social roles, influencer, bridge, soloist

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Authors: Wooyoung Jung, Ghang Lee

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This paper paper reports the worldwide status of building information modeling (BIM) adoption from the perspectives of the engagement level, the Hype Cycle model, the technology diffusion model, and BIM-uses. An online survey was distributed, and 156 experts from six continents responded. Overall, North America was the most advanced continent, followed by Oceania and Europe. Countries in Asia perceived their phase mainly as slope of enlightenment (mature) in the Hype Cycle model. In the technology diffusion model, the main BIM-users worldwide were “early majority” (third phase), but those in the Middle East/Africa and South America were “early adopters” (second phase). In addition, the more advanced the country, the more number of BIM services employed in general. In summary, North America, Europe, Oceania, and Asia were advancing rapidly toward the mature stage of BIM, whereas the Middle East/Africa and South America were still in the early phase. The simple indexes used in this study may be used to track the worldwide status of BIM adoption in long-term surveys.

Keywords: BIM adoption, BIM services, hype cycle model, technology diffusion model

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Authors: Balpreet Singh Madan

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The Middle Eastern countries have preserved their heritage, tradition, and culture in their buildings by incorporating vernacular features of Arab-Islamic Architecture. The harsh sun and arid climate in the Gulf region make their buildings and infrastructure extremely hot and challenging to live in. One such iconic feature of Arab architecture is the Mashrabiya, which has been refined and updated for both functional and aesthetic purposes. This feature helps reduce the impact of solar radiation in buildings and lowers the energy requirements for creating livable conditions. The incorporation of Mashrabiya in modern buildings in the region symbolizes the amalgamation of tradition with innovation and modern technology. These buildings depict Mashrabiya with refinements for its better functional performance and aesthetic appeal to make superior built forms. This paper emphasizes the study of Mashrabiya as a vernacular feature with its adaptability for Energy Conservation and Sustainability, as seen in some of the recent iconic buildings of the Middle East, through a literature review and case studies of renowned buildings.

Keywords: energy efficiency, climate responsive, sustainability, innovation, heritage, vernacular

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Authors: Mahdi Motahari, Mojtaba Farzaneh, Armin Parsian Nejad

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The rapidly growing wind industry is highly expressing the need for education and training worldwide, particularly on the system level. Modelling and simulating wind generator system using Matlab-Simulink provides expert help in understanding wind systems engineering and system design. Working under Matlab-Simulink we present the integration of the developed WECS model with public electrical grid. A test of the calculated power and Cp related to the experimental equivalent data, using statistical analysis is performed. The statistical indicators of accuracy show better results of the presented method with RMSE: 21%, 22%, MBE : 0.77%, 0.12 % and MAE :3%, 4%.On the other hand we study its behavior when integrated in whole power system. Three level of wind speeds have been chosen: low with 5m/s as the mean value, medium with 8m/s as the mean value and high speed with 12m/s as the mean value. These allowed predicting and supervising the active power produced by the system, characterized respectively by the middle powers of -150 kW, -250kW and -480 kW which will be injected directly into the public electrical grid and the reactive power, characterized respectively by the middle powers of 60 kW, 180 kW and 320 kW and will be consumed by the wind generator.

Keywords: modelling, simulation, wind generator, fixed speed wind turbine, Matlab-Simulink

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Authors: Ibrahim Alshalan

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The Islamic Republic of Iran is one of the greatest and most powerful countries, not only in the Arabian Gulf but in the entire Middle East region. However, the Iranian regime, which came to power as a result of the 1979 revolution that resulted in overthrowing the Shah Mohammad Reza Pahlavi, has been the biggest source of threat to the stability of the Middle East since the revolution until this day. It has ambitions to dominate the neighboring Arab countries, especially Iraq, Syria, Lebanon, Yemen and Bahrain. Iran has bad relationships with countries of the Gulf Cooperation Council (GCC), which includes Saudi Arabia, United Arab Emirates, Kuwait, Qatar, Oman and Bahrain. The main objective of this paper is to shed light on the deteriorating political relations between the Iranian regime on one hand and the GCC on the other, especially Saudi Arabia which is witnessing more challenges as a result of Iran's determination to develop its nuclear program. Another important objective of this paper is to identify the Iranian role in the creation of the hotbeds of conflict in addition to its responsibility for some of the region's problems. It also aims to answer the question; why does Iran insist on developing its controversial nuclear program?

Keywords: Iran, GCC, Gulf, Saudi Arabia

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Authors: Yuan Li, Yitao Han, Zhao Zhu

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In this paper, the effect of blasting loads on steel-concrete composite bridges has been investigated considering the slope reflection effect. Reasonable values of girder size, plate thickness, stiffening rib, and other design parameters were selected according to design specifications. Modified RHT (Riedel-Hiermaier-Thoma) was used as constitutive relation in analyses. In order to simulate the slope reflection effect, the slope of the bridge was precisely built in the model. Different blasting conditions, including top, middle, and bottom explosions, were simulated. The multi-Euler domain method based on fully coupled Lagrange and Euler models was adopted for the structural analysis of the explosion process using commercial software AUTODYN. The obtained results showed that explosion overpressure was increased by 3006, 879, and 449kPa, corresponding to explosions occurring at the top, middle, and bottom of the slope, respectively. At the same time, due to energy accumulation and transmission dissipation caused by slope reflection, the corresponding yield lengths of steel beams were increased by 8, 0, and 5m, respectively.

Keywords: steel-concrete composite bridge, explosion damage, slope reflection, blasting loads, RHT

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Authors: Dong Yinan, Zhou Zijie

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Urban fringe belt is an important part of urban morphology research. Different from the relatively fixed central district of city, the position of fringe belt is changing. In the process of urban expansion, the original fringe belt is likely to be merged by the new-built city, even become new city public center. During the change, we are facing the dialectic between restoring the organicity of old urban form and creating new urban image. There are lots of relevant research in urban scale, but when we focus on building scale, rare design method can be proposed, thus some new individual building cannot match the overall urban planning intent. The expansion project of the second middle school in Xuancheng is facing this situation. The existing campus is located in the south fringe belt of Xuancheng, Anhui province, China, adjacent to farmland and ponds. While based on the Xucheng urban planning, the farmland and ponds will be transformed into a big lake, around which new public center will be built; the expansion of the school becomes an important part of the boundary of the new public center. Therefore, the expansion project faces challenges from both urban and building scale. In urban scale, we analyze and summarize the fringe belt characters through the reading of existing and future urban organism, in order to determine the form of the expansion project. Meanwhile, in building scale, we study on different types of school buildings and select appropriate type which can satisfy to both urban form and school function. This research attempts to investigate design methods based on an under construction project in Xuancheng, a historic city in southeast China. It also aims to bridge the gap from urban design to individual building design through the typo-morphological research.

Keywords: design methods, urban fringe belt, typo-morphological research, middle school

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Authors: Samira Baghbanbari, A. B. P. Lever, Payam S. Shabestari, Donald Weaver

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Existing signal transmission models, although undoubtedly useful, have proven insufficient to explain the full complexity of information transfer within the central nervous system. The development of transformative models will necessitate a more comprehensive understanding of neuronal lipid membrane electrophysiology. Pursuant to this goal, the role of highly organized interfacial phospholipid-water layers emerges as a promising case study. A series of phospholipids in neural-glial gap junction interfaces as well as cholesterol molecules have been computationally modelled using high-performance density functional theory (DFT) calculations. Subsequent 'charge decomposition analysis' calculations have revealed a net transfer of charge from phospholipid orbitals through the organized interfacial water layer before ultimately finding its way to cholesterol acceptor molecules. The specific pathway of charge transfer from phospholipid via water layers towards cholesterol has been mapped in detail. Cholesterol is an essential membrane component that is overrepresented in neuronal membranes as compared to other mammalian cells; given this relative abundance, its apparent role as an electronic acceptor may prove to be a relevant factor in further signal transmission studies of the central nervous system. The timescales over which this electronic charge transfer occurs have also been evaluated by utilizing a system design that systematically increases the number of water molecules separating lipids and cholesterol. Memory loss through hydrogen-bonded networks in water can occur at femtosecond timescales, whereas existing action potential-based models are limited to micro or nanosecond scales. As such, the development of future models that attempt to explain faster timescale signal transmission in the central nervous system may benefit from our work, which provides additional information regarding fast timescale energy transfer mechanisms occurring through interfacial water. The study possesses a dataset that includes six distinct phospholipids and a collection of cholesterol. Ten optimized geometric characteristics (features) were employed to conduct binary classification through an artificial neural network (ANN), differentiating cholesterol from the various phospholipids. This stems from our understanding that all lipids within the first group function as electronic charge donors, while cholesterol serves as an electronic charge acceptor.

Keywords: charge transfer, signal transmission, phospholipids, water layers, ANN

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Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy

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Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.

Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids

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Authors: Maryam Ziaei, Saeedeh Rafiei, Leila Mivehi, Akbar Khodaparast Haghi

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Carbon nanofibers possess properties that are rarely present in any other types of carbon adsorbents, including a small cross-sectional area, combined with a multitude of slit shaped nanopores that are suitable for adsorption of certain types of molecules. Because of their unique properties these materials can be used for the selective adsorption of organic molecules. On the other hand, activated carbon fiber (ACF) has been widely applied as an effective adsorbent for micro-pollutants in recent years. ACF effectively adsorbs and removes a full spectrum of harmful substances. Although there are various methods of fabricating carbon nanofibres, electrospinning is perhaps the most versatile procedure. This technique has been given great attention in current decades because of the nearly simple, comfortable and low cost. Spinning process control and achieve optimal conditions is important in order to effect on its physical properties, absorbency and versatility with different industrial purposes. Modeling and simulation are suitable methods to obtain this approach. In this paper, activated carbon nanofibers were produced during electrospinning of polyacrylonitrile solution. Stabilization, carbonization and activation of electrospun nanofibers in optimized conditions were achieved, and mathematical modelling of electrosinning process done by focusing on governing equations of electrified fluid jet motion (using FeniCS software). Experimental and theoretical results will be compared with each other in order to estimate the accuracy of the model. The simulation can provide the possibility of predicting essential parameters, which affect the electrospinning process.

Keywords: carbon nanofibers, electrospinning, electrospinning modeling, simulation

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Authors: Salisu Umar

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Fruits are a seasonal crop and get spoiled quickly. They are dried to be preserved for a long period. The natural drying process requires more time. The investment on space requirement and infrastructure is large, and cannot be afforded by a middle class farmer. Therefore there is a need for a comparatively small unit with reduced drying times, which can be afforded by a middle class farmer. A controlled environment suitable for fruit drying is developed within a closed chamber and is a three step process. Firstly, the infrared light is used internally to preheated the fruit to speedily remove the water content inside the fruit for fast drying. Secondly, hot air of a specified temperature is blown inside the chamber to maintain the humidity below a specified level and exhaust the humid air of the chamber. Thirdly the microcontroller idles disconnecting the power to the chamber after the weight of the fruits is reduced to a known value of its original weight. This activates a buzzer for duration of ten seconds to indicate the end of the drying process. The results obtained indicate that the system is significantly reducing the drying time without affecting the quality of the fruits compared with the existing dryers.

Keywords: fruit, fuzzy controller, microcontroller, temperature, weight and humidity

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Authors: John Chau, Tzvi Aviv

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Cardiometabolic conditions (hypertension, diabetes, and hyperlipidemia) are major public health concerns. Analysis of all prescription records from about 10 million patients at the largest network of pharmacies in Canada reveals small year-over-year increases in the treatment prevalence of cardiometabolic diseases prior to the COVID-19 pandemic. Cardiometabolic treatment rates increase with age and are higher in males than females. Hypertension treatment rates were 24% in males and 19% in females in 2021. Diabetes treatment rates were 10% in males and 7% in females in 2021. Geospatial analysis using patient addresses reveals interesting differences among provinces and neighborhoods in Canada. Using digital surveys distributed among 8,504 Canadian adults, an increase in hypertension awareness with age and female gender was observed. However, 7% of seniors and 6% of middle-aged Canadians reported uncontrolled blood pressure (>140/90 mmHg). In addition, elevated blood pressure (130-139/80-89 mmHg) was reported by 20% of seniors and 14% of middle-aged Canadians.

Keywords: cardiometabolic conditions, diabetes, hypertension, precision public health

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Authors: Jiazhen Liao, Xiaolan Zeng

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A series of BiOCl nanoplates with different oxygen vacancies (OVs) concentrations were successfully synthesized via a facile solvothermal method. The concentration of OVs of BiOCl can be tuned by the ratios of water/ethylene glycol. Such nanoplates containing oxygen vacancies served as an efficient visible-light-driven photocatalyst for NO oxidation. Compared with pure BiOCl, the enhanced photocatalytic performance was mainly attributed to the introduction of OVs, which greatly enhanced light absorption, promoted electron transfer, activated oxygen molecules. The present work could provide insights into the understanding of the role of OVs in photocatalysts for reference. Combined with characterization analysis, such as XRD（X-ray diffraction）, XPS（X-ray photoelectron spectroscopy), TEM（Transmission Electron Microscopy）, PL（Fluorescence Spectroscopy）, and DFT (Density Functional Theory) calculations, the effect of vacancies on photoelectrochemical properties of BiOCl photocatalysts are shown. Furthermore, the possible reaction mechanisms of photocatalytic NO oxidation were also revealed. According to the results of in situ DRIFTS （ Diffused Reflectance Infrared Fourier Transform Spectroscopy）, various intermediates were produced during different time intervals of NO photodegradation. The possible pathways are summarized below. First, visible light irradiation induces electron-hole pairs on the surface of OV-BOC (BiOCl with oxygen vacancies). Second, photogenerated electrons form superoxide radical with the contacted oxygen. Then, the NO molecules adsorbed on the surface of OV-BOC are attacked by superoxide radical and form nitrate instead of NO₂ (by-products). Oxygen vacancies greatly improve the photocatalytic oxidation activity of NO and effectively inhibit the production of harmful by-products during the oxidation of NO.

Keywords: OVs-BiOCl nanoplate, oxygen vacancies, NO oxidation, photocatalysis

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Authors: Abdeghani Qadem

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Climate change is now an undeniable reality with increasing impacts on water systems worldwide, especially leading to severe drought episodes. The Southern Mediterranean region is particularly affected by this drought, which can have devastating consequences on water resources. Morocco, due to its geographical location in North Africa and the Southern Mediterranean, is especially vulnerable to these effects of climate change, particularly drought. In this context, this article focuses on the study of climate variability and drought characteristics in the Saiss Plateau region and its adjacent areas with the Middle Atlas, using specific statistical indices. The study begins by analyzing the annual precipitation variation, with a particular emphasis on data homogenization and gap filling using a regional vector. Then, the analysis delves into drought episodes in the region, using the Standardized Precipitation Index (SPI) over a 12-month period. The central objective is to accurately assess significant drought changes between 1980 and 2015, based on data collected from nine meteorological stations located in the study area.

Keywords: climate variability, regional vector, drought, standardized precipitation index, Saiss Plateau, middle atlas

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Authors: Poonam Magu, Kumud Khanna, P. Seetharaman

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A kitchen is a major workplace in any home. A large variety of tasks, mainly related to meal preparation is performed here. The types of activities performed are varied and vast. In a way, it is the activities performed that determine the way the space within the kitchen is going to be utilised. A study was conducted in 510 Indian kitchens belonging to middle-income group families living in Delhi. It was conducted in three phases. In the first phase, 510 non-working homemakers were interviewed and questions pertaining to their personal characteristics, meal preparation and physical aspects related to the kitchen were asked. In the second phase, the technique of Path Process Chart was developed. Subsequently, a sub-sample of 50 homemakers was selected from the larger group. The activity of meal preparation was carried out by the homemakers themselves in their kitchens. A time and motion study was conducted using the technique of Path Process Chart. The results were analysed using the appropriate analysis sheets and conclusions were drawn. It was found that the entire kitchen and more specifically, the counter had been 'divided' into a number of workplaces. These workplaces were being used either for performing operations or for the purpose of storage. In many cases, it was used for both. On the whole, in 50 kitchens studied, 21 workplaces were identified which were used for performing operations related to meal preparation and 17 for storage It was also observed that almost the entire kitchen was used for the purpose of storage of some item or the other. The major workplaces where operations were performed were the range, workplaces to the right and left of range and sink and workplaces to the right or left of the sink. The same workplaces were also used for the purpose of storage. There were some workplaces outside the kitchen too, which were used for operations or storage. These were the dining table, courtyard or balcony, bedroom cupboard. On the whole, the range centre and the sink centre were found to be the two most important centres in an Indian kitchen belonging to urban middle-income group family.

Keywords: kitchen, workplace, meal preparation, path process chart

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Authors: Khodzhaberdi Allaberdiev

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Aromaticity, one of the most important concepts in organic chemistry, has attracted considerable interest from both experimentalists and theoreticians. The geometry optimization of p-substituted o-(N-dialkyl)aminomethylphenols, o-DEAMPH XC₆ H₅CH ₂Y (X=p-OCH₃, CH₃, H, F, Cl, Br, COCH₃, COOCH₃, CHO, CN and NO₂, Y=o-N (C₂H₅)₂, o-DEAMPHs have been performed in the gas phase using the B3LYP/6-311+G(d,p) level. Aromaticities of the considered molecules were investigated using different indices included geometrical (HOMA and Bird), electronic (FLU, PDI and SA) magnetic (NICS(0), NICS(1) and NICS(1)zz indices. The linear dependencies were obtained between some aromaticity indices. The best correlation is observed between the Bird and PDI indices (R² =0.9240). However, not all types of indices or even different indices within the same type correlate well among each other. Surprisingly, for studied molecules in which geometrical and electronic cannot correctly give the aromaticity of ring, the magnetism based index successfully predicts the aromaticity of systems. 1H NMR spectra of compounds were obtained at B3LYP/6–311+G(d,p) level using the GIAO method. Excellent linear correlation (R²= 0.9996) between values the chemical shift of hydrogen atom obtained experimentally of 1H NMR and calculated using B3LYP/6–311+G(d,p) demonstrates a good assignment of the experimental values chemical shift to the calculated structures of o-DEAMPH. It is found that the best linear correlation with the Hammett substituent constants is observed for the NICS(1)zz index in comparison with the other indices: NICS(1)zz =-21.5552+1,1070 σp- (R²=0.9394). The presence intramolecular hydrogen bond in the studied molecules also revealed changes the aromatic character of substituted o-DEAMPHs. The HOMA index predicted for R=NO2 the reduction in the π-electron delocalization of 3.4% was about double that observed for p-nitrophenol. The influence intramolecular H-bonding on aromaticity of benzene ring in the ground state (S0) are described by equations between NICS(1)zz and H-bond energies: experimental, Eₑₓₚ, predicted IR spectroscopical, Eν and topological, EQTAIM with correlation coefficients R² =0.9666, R² =0.9028 and R² =0.8864, respectively. The NICS(1)zz index also correlates with usual descriptors of the hydrogen bond, while the other indices do not give any meaningful results. The influence of the intramolecular H-bonding formation on the aromaticity of some substituted o-DEAMPHs is criteria to consider the multidimensional character of aromaticity. The linear relationships as well as revealed between NICS(1)zz and both pyramidality nitrogen atom, ΣN(C₂H₅)₂ and dihedral angle, φ CAr – CAr -CCH₂ –N, to characterizing out-of-plane properties.These results demonstrated the nonplanar structure of o-DEAMPHs. Finally, when considering dependencies of NICS(1)zz, were excluded data for R=H, because the NICS(1) and NICS(1)zz values are the most negative for unsubstituted DEAMPH, indicating its highest aromaticity; that was not the case for NICS(0) index.

Keywords: aminomethylphenols, DFT, aromaticity, correlations

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