Field Analysis Studies Research Articles

The Role of Kyai's Charismatic Leadership in Mitigating Religious Intolerance and Radicalism in Pesantren

This research discusses the critical role of kyai's charismatic leadership in mitigating religious intolerance and radicalism in pesantren. Kyai, as the primary leader in pesantren, has a significant influence in shaping the attitudes and thoughts of the santri. This research was conducted based on a field analysis study, followed by literature research incorporating various scientific arguments and information from relevant literature sources. This research was implemented at Pondok Pesantren Sabilurrosyad Gasek as a sample object, involving kyai, santri, and the surrounding community. Through his charisma and authority, the kyai can effectively convey the values of religious moderation to the santri. The approach taken by the kyai, which emphasizes the values of deliberation, balance, and tolerance, helps the santri understand religious teachings in a balanced manner and avoid radical attitudes. Islamic boarding schools also play a role in instilling religious moderation values through a well-structured religious education curriculum. Thus, the charismatic leadership of kyai is at the forefront of reducing religious intolerance and radicalism in pesantren, forming a generation of santri who understand religious teachings comprehensively and moderately, and contributing to creating an inclusive and peaceful society.

Flow Field Analysis and Performance Study of a Hydrogen Circulation Pump for Proten Exchange Membrane Fuel Cell Vehicles with Different Working Clearances

This study investigates the impact of working clearances on the internal flow field, pressure pulsations, flow pulsations, and radial forces experienced by a hydrogen circulation pump. Numerical calculations are conducted on seven sets of distinct working clearances for the pump. The research findings demonstrate that an increase in meshing clearance and radial clearance results in higher leakage flow rate during the compression exhaust process, leading to a decrease in hydrogen circulation pump's exhaust flow rate. When the meshing clearance increases from 0.15 to 0.21 mm, the actual exhaust flow rate of the pump decreases from 37.46 to 32.73 m3 h−1. Similarly, when the radial clearance increases from 0.18 to 0.24 mm, the actual exhaust flow rate of the pump decreases from 42.46 to 29.71 m3 h−1. Additionally, with an increase in meshing clearance, both the radial forces Fx and Fy of the active rotor exhibit a downward trend. Yet, as radial clearance grows, the radial force Fx slightly descends, while the change trend of radial force Fy is first positive decrease and then reverse increase.

Urgensi Komunikasi dalam Menumbuhkan Motivasi dalam Pembuatan Produk Newklin

Communication between work groups is persuasive communication, face-to-face, to arouse passion and activity at work. The purpose of this paper is to describe how the urgency of communication in fostering the motivation of a work group or work group in developing a product. Type and research approach This type of research is a literature and field analysis study using qualitative methods. Qualitative research used by researchers is descriptive data, namely in the form of written or spoken words from people and observable behavior. Researchers use a qualitative approach because researchers are interested in a phenomenon in the field by collecting data through interview and observation techniques. The results of this study are, communication has several variables that can motivate the work of the work group, namely the relationship between superiors and subordinates, relationships among coworkers, company rules and policies, working conditions, and compensation. The communication that most quickly fosters motivation is the relationship between superiors and subordinates. The reason is that the supervisor is the one who must be able to motivate the work of the work group working in his company and maintain good working and communication relationships with the work group, if this does not happen, there is a high probability of massive changes in the work group structure. Communication with motivation is closely related to work group performance in achieving company goals.
 Keywords: Communication Urgency; Motivation; Work Group; Newklin Soap

Flow Field Analysis and Numerical Study on Separation Efficiency of Cyclone Air Flotation Device

Flow Field Analysis and Numerical Study on Separation Efficiency of Cyclone Air Flotation Device

Urgensi Komunikasi dalam Menumbuhkan Motivasi dalam Pembuatan Produk Newklin

Communication between work groups is persuasive communication, face-to-face, to arouse passion and activity at work. The purpose of this paper is to describe how the urgency of communication in fostering the motivation of a work group or work group in developing a product. Type and research approach This type of research is a literature and field analysis study using qualitative methods. Qualitative research used by researchers is descriptive data, namely in the form of written or spoken words from people and observable behavior. Researchers use a qualitative approach because researchers are interested in a phenomenon in the field by collecting data through interview and observation techniques. The results of this study are, communication has several variables that can motivate the work of the work group, namely the relationship between superiors and subordinates, relationships among coworkers, company rules and policies, working conditions, and compensation. The communication that most quickly fosters motivation is the relationship between superiors and subordinates. The reason is that the supervisor is the one who must be able to motivate the work of the work group working in his company and maintain good working and communication relationships with the work group, if this does not happen, there is a high probability of massive changes in the work group structure. Communication with motivation is closely related to work group performance in achieving company goals.

Comparative Molecular Field Analysis (CoMFA), Molecular Docking and ADMET Study on Thiazolidine-4-carboxylic acid Derivatives as New Neuraminidase Inhibitors

The objective of this research was to create a 3D-QSAR CoMFA model for a set of twenty-five neuraminidase inhibitors containing thiazolidine-4-carboxylic acid derivatives and to identify a new potent neuraminidase inhibitor for the treatment of influenza. The statistical parameters of the generated model are excellent: Q2 = 0.708, R2 = 0.997. The external validation results were (r2 0 = 0.922, K= 1.016, R2 pred = 0.674, r2 m= 0.778) indicating that the constructed model has good predictive power. Based on the contour map of the CoMFA model, we were able to propose six novel compounds with higher neuraminidase inhibitory activity than the most active compound. The six proposed molecules were submitted to molecular docking to analyse the bindings formed between the newly designed molecules and the neuraminidase. All of the proposed molecules were found to be more stable on the active site of neuraminidase than the reference molecule (1SJ). SwissADME was used to estimate the pharmacokinetic properties of each proposed molecule, while ProToxII and VEGA QSAR were used to investigate any potential toxicity. Finally, a reaction mechanism for synthesizing the six proposed compounds was described, which could potentially be explored further in the search for novel neuraminidase inhibitors. In conclusion, this study has identified potential candidates for the development of more effective neuraminidase inhibitors for the treatment of influenza.

Flow field analysis and performance study of claw hydrogen circulating pump in fuel cell system

Hydrogen circulation pump is an important equipment for hydrogen fuel cell system which can recycle the unreacted hydrogen to improve the system efficiency. A mathematical model of claw pump is built and the internal flow field was simulated by dynamic mesh technology. The p-θ diagram is obtained by analyzing the gas flow characteristics. The model is firstly verified by air experiments and then the performance influenced by suction pressure, exhaust pressure, rotating speed, and clearance are analyzed. The volumetric efficiency increased by 22% when the suction pressure increases from 152 kPa to 168 kPa but decreased by 23% when the exhaust pressure increases from 172 kPa to 188 kPa. The volumetric efficiency increased by 26.7% when the rotating speed increases from 4000 rpm to 6000 rpm but decreased by 52.1% when the working clearance increases from 0.03 mm to 0.07 mm. Due to the range of working pressure ratio is small, the indicated efficiency changes slightly.

Developing Students’ Critical Thinking Skills Using the Field Laboratory for Geography Education (Case Study on Mount Galunggung, Tasikmalaya, West Java, Indonesia)

Purpose of the study: This study aimed to analyze the needs of the field laboratory for geography education which functions as an outdoor learning medium.
 Methodology: The method applied in this study was descriptive qualitative research using three stages, namely preliminary needs analysis studies, field analysis studies through observation and satellite image overlay, and field function analysis for learning purposes.
 Main Findings: The results indicated that the open space (environment) can function as a laboratory that can be used for teaching and learning, research, and community services. In addition, critical thinking skills that can be developed in the field laboratory for geography education included analytical skills, synthetical skills, identifying and problem-solving skills, concluding skills, and evaluating or assessing skills.
 Applications of this study: This study provides geography teachers with information to develop a field laboratory as a learning resource.
 Novelty: There are very few studies that examine field laboratories, whereas field laboratories are indispensable to develop students’ critical thinking skills.

Flow Field Analysis and Feasibility Study of a Multistage Centrifugal Pump Designed for Low-Viscous Fluids

A multistage centrifugal pump is designed for pumping low-viscosity, highly volatile and flammable chemicals, including hydrocarbons, for high head requirements. The five-stage centrifugal pump consists of a double-suction impeller at the first stage followed by a twin volute. The impellers for stages two through five are single-suction impellers followed by diffuser vanes and return channel vanes. The analytical performance is calculated initially in the design stage by applying similarity laws to an existing scaled-down pump model designed for low flow rate applications. The proposed pump design is investigated using computational fluid dynamics tools to study its performance in design and off-design conditions for water as the base fluid. The design feasibility of the centrifugal pump is tested for other fluids, such as water at a high temperature and pressure, diesel and debutanized diesel. The pump design is found to be suitable for a variety of fluids and operating ranges. The losses in the pump are analyzed in each stage at the best efficiency point. The losses in efficiency and head are observed to be higher in the second stage than in other stages. The detailed flow behavior at the second stage is studied to identify the root cause of the losses. Design modifications are recommended to diminish the losses and improve the overall performance of the pump.

Broadband Radar Absorbing Structures with a Practical Approach from Design to Fabrication

In this study, a novel broadband radar absorbing volume structure (RAVS) is proposed and demonstrated with a practical point of view from design to fabrication. The proposed RAVS uses a design concept of repeatedly stacked carbon nanotube (CNT) composites and foam cores of the same thickness to improve the applicability to real structures while maintaining absorption performance. The repeatedly stacked CNT composites, which act as electrically lossy materials, result in the multiple scattering of incident electromagnetic waves trapped inside the structure. The trapped incident waves then lose their energy by multiple scattering. Based on this design concept, the RAVS designed through field analysis and parametric study achieved a −10 dB absorption performance from 4 GHz to 16 GHz. With reference to the design values, RAVS was fabricated for verification, and the absorption performance was measured using a free space measurement system. The measurement result showed excellent absorption performance that satisfied −10 dB from 5.8 GHz or less to 14 GHz.

Field Analysis and performance study of an integrated hydrocyclone for degassing and deoiling

To solve the problem of oil and water being unable to be efficiently separated under gas-containing conditions, an integrated cyclone capable of efficiently separating the three phases of oil, gas and water is designed based on the principle of cyclonic separation. Flow field analysis and separation performance study of different treatment amounts, split ratios and oil contents were conducted, and the effects of gas-phase distribution, oil-phase distribution, pressure field and separation efficiency in the cyclone under different conditions were shown. Results indicate that show that the outlet pressure drop, the increase rate and the separation efficiency gradually increase as the processing capacity increases. As the split ratio increases, the oil-phase separation efficiency gradually decreases, and the pressure loss at the bottom flow port gradually increases. The experiment and simulation show that the separation efficiency is the highest when the sum of the internal overflow splits is 50%, and the optimal processing capacity is 23 m3/h. The cyclone has a strong adaptability to liquids with different conditions, and the separation efficiency can reach 98.6%.

New dehydroabietic acid (DHA) derivatives with anticancer activity against HepG2 cancer cell lines as a potential drug targeting EGFR kinase domain. CoMFA study and virtual ligand-based screening

Liver cancer has become the third type of cancer that causes death; this is why the design of new chemotherapeutic drugs against this disease is a major need. With this idea, a series of Dehydroabietic Acid-Based Acylhydrazones have been used to generate a CoMFA model to design new anticancer agents. In this study, we employed a Comparative Molecular Field Analysis studies, we performed those methods on Dehydroabietic Acid-Based Acylhydrazones against HepG2 human cancer cell line. The statistical results are encouraging with Q2 equal to 0.527 and R2 equal to 0.962. The predictive ability of this model was determined using a test set of Dehydroabietic Acid-Based Acylhydrazones that gave an acceptable predictive correlation (R2test) value of 0.614. The developed model guides to design five new molecules with enhanced activity as potential drugs. On the other hand to determine a potential target to these ligands we have established a virtual screening using reverse docking with the most active molecule and 42 antiproliferative targets. Based on the affinity of complex ligand-Target, the intracellular domain of EGFR shows high stability. This suggests that our designed molecules can inhibit the target EGFR which is an important target on targeted therapy of many types of cancer. Communicated by Ramaswamy H. Sarma

Comparative molecular field analysis and molecular dynamics studies of the dopamine D2 receptor antagonists without a protonatable nitrogen atom

The dopaminergic hypothesis of schizophrenia is the main concept explaining the direct reasons of schizophrenia and the effectiveness of current antipsychotics. All antipsychotics present on the market are potent dopamine D2 receptor antagonists or partial agonists. In this work we investigate a series of dopamine D2 receptor antagonists which do not fulfill the criteria of the classical pharmacophore model as they do not possess a protonatable nitrogen atom necessary to interact with the conserved Asp(3.32). Such compounds are interesting, inter alia, due to possible better pharmacokinetic profile when compared to basic, ionizable molecules. By means of homology modeling, molecular docking and molecular dynamics we determined that the compounds investigated interact with Asp(3.32) via their amide nitrogen atom. It was found that the studied compounds stabilize the receptor inactive conformation through the effect on the ionic lock, which is typical for GPCR antagonists. We constructed a CoMFA model for the studied compounds with the following statistics: R2 = 0.95, Q2 = 0.63. The quality of the CoMFA model was confirmed by high value of R2 of the test set, equal 0.96. The CoMFA model indicated two regions where bulky substituents are favored and two regions where bulky substituents are not beneficial. Two red contour regions near carbonyl groups were identified meaning that negative charge would be favored here. Furthermore, the S-oxide group is connected with blue contour region meaning that positive charge is favored in this position. These findings may be applied for further optimization of the studied compound series.

First report on 3D-QSAR and molecular dynamics based docking studies of GCPII inhibitors for targeted drug delivery applications

Prostate Specific Membrane Antigen (PSMA) or Glutamate carboxypeptidase II (GCPII) has been identified as an important target in diagnosis and therapy of prostate cancer. Among several types of inhibitors, urea based inhibitors are the most common and widely employed in preclinical and clinical studies. Computational studies have been carried out to uncover active sites and interaction of PSMA inhibitors with the protein by modifying the core structure of the ligand. Analysis of the literature, however, show lack of 3-D quantitative structure activity relationship (QSAR) and molecular dynamics based molecular docking study to identify structural modifications responsible for better GCPII inhibitory activity. The present study aims to fulfil this gap by analysing well known PSMA inhibitors reported in the literature with known experimental PSMA inhibition constants. Also in order to validate the in silico study, a new GCPII inhibitor 7 was designed, synthesized and experimental PSMA enzyme inhibition was evaluated by using freshly isolated PSMA protein from human cancer cell line derived from lymph node, LNCaP.3D-QSAR CoMFA models on 58 urea based GCPII inhibitors were generated, and the best correlation was obtained in Gast-Huck charge assigning method with q2, r2 and predictive r2 values as 0.592, 0.995 and 0.842 respectively. Moreover, steric, electrostatic, and hydrogen bond donor field contribution analysis provided best statistical values from CoMSIA model (q2, r2 and predictive r2 as 0.527, 0.981 and 0.713 respectively). Contour maps study revealed that electrostatic field contribution is the major factor for discovering better binding affinity ligands. Further molecular dynamic assisted molecular docking was also performed on GCPII receptor (PDB ID 4NGM) and most active GCPII inhibitor, DCIBzL. 4NGM co-crystallised ligand, JB7 was used to validate the docking procedure and the amino acid interactions present in JB7 are compared with DCIBzL. The results suggest that Arg210, Asn257, Gly518, Tyr552, Lys699, and Tyr700 amino acid residues may play a crucial role in GCPII inhibition. Molecular Dynamics Simulation provides information about docked pose stability of DCIBzL. By combination of CoMFA-CoMSIA field analysis and docking interaction analysis studies, conclusive SAR was generated for urea based derivatives based on which GCPII inhibitor 7 was designed and chemically synthesized in our laboratory. Evaluation of GCPII inhibitory activity of 7 by performing NAALADase assay provided IC50 value of 113 nM which is in close agreement with in silico predicted value (119 nM). Thus we have successfully validated our 3D-QSAR and molecular docking based designing of GCPII inhibitors methodology through biological experiments. This conclusive SAR would be helpful to generate novel and more potent GCPII inhibitors for drug delivery applications.

Possible anticancer agents: synthesis, pharmacological activity, and molecular modeling studies on some 5-N -Substituted-2-N-(substituted benzenesulphonyl)-L(+)Glutamines

On the basis of our earlier work, fortyone 5-N-substituted-2N-(substituted benzenesulphonyl)-L(+)glutamines were synthesized and screened for cancer cell inhibitory activity. The best active compounds showed 91% tumor cell inhibition, whereas other three compounds showed more than 80% inhibition. Two-dimensional quantitative structure–activity relationship modeling and three-dimensional quantitative structure–activity relationship k-nearest neighbor molecular field analysis studies were done to get an insight into structural requirements toward further improved anticancer activity. Considering the fact that these compounds are competitive inhibitors of glutaminase, a molecular docking study followed by molecular dynamic simulation analysis were performed. The work may help to develop new anticancer agents.

Comparative molecular field analysis and molecular docking studies on novel aryl chalcone derivatives against an important drug target cysteine protease in Plasmodium falciparum

The computational studies namely molecular docking simulations and Comparative Molecular Field Analysis (CoMFA) are executed on series of 52 novel aryl chalcones derivatives using Plasmodium falciparum cysteine proteases (falcipain - 2) as vital target. In the present study, the correlation between different molecular field effects namely steric and electrostatic interactions and chemical structures to the inhibitory activities of novel aryl chalcone derivatives is inferred to perceive the major structural prerequisites for the rational design and development of potent and novel lead anti-malarial compound. The apparent binding conformations of all the compounds at the active site of falcipain - 2 and the hydrogen-bond interactions which could be used to modify the inhibitory activities are identified by using Surflex-dock study. Statistically significant CoMFA model has been developed with the cross-validated correlation coefficient (q2) of 0.912 and the non-cross-validated correlation coefficient (r2) of 0.901. Standard error of estimation (SEE) of 0.210, with the optimum number of components is ten. The predictability of the derived model is examined with a test set consists of sixteen compounds and the predicted r2 value is found to be 0.924. The docking and QSAR study results confer crucial suggestions for the optimization of novel 1,3-diphenyl-2-propen-1-one derivatives and synthesis of effective anti- malarial compounds.

Screening Historical Water Quality Monitoring Data for Chemicals of Potential Ecological Concern: Hazard Assessment for Selected Inflow and Outflow Monitoring Stations at the Water Conservation Areas, South Florida

A hazard assessment was conducted of contaminants found at inflow and outflow monitoring stations of the Water Conservation Areas (WCAs) in South Florida. WCAs (1, 2A, 2B 3A, 3B) lie north of Everglades National Park (ENP) and southeast of Lake Okeechobee, span almost 1400 mi2, and serve a number of water resource functions which include food control for three major counties, delivering water to ENP, and water storage during dry downs and for recharging groundwater. Measured concentrations of contaminants in sediment and water were evaluated at 13 monitoring stations in the WCAs using a screening benchmark approach. Chemicals of potential ecological concern (COPECs) included herbicides, organochlorine pesticides, organochlorine industrial chemicals, and heavy metals. Of the stations, total cadmium was a COPEC at nine of them. Most sites had maximum detected concentrations of cadmium that exceeded state of Florida (USA) water quality criteria standards. Beryllium, copper, mercury, methylmercury, and zinc (measured as total metal concentration) also exceeded surface water criteria at several sites. Several organochlorine chemicals in sediment were COPECs; chlordane, polychlorinated biphenyls, and p,p′-DDT with its metabolites (p,p′-DDD and p,p′-DDE) had more than 200 sediment benchmark exceedences. Mercury in fish tissue was a COPEC at S5A when compared to a no-effect residue value for survival. Greater potential hazards were observed at northern monitoring sites than southern sites around the WCAs. The hazard assessment approach for screening water quality data described in this article can help focus higher tier risk assessment work, including laboratory, field, and data analysis studies, on contaminants with greater potential for adverse biological effects.

Comparative molecular field analysis and molecular dynamics studies of α/β hydrolase domain containing 6 (ABHD6) inhibitors.

The endocannabinoid system remains an attractive molecular target for pharmacological intervention due to its roles in the central nervous system in learning, thinking, emotional function, regulation of food intake or pain sensation, as well as in the peripheral nervous system, where it modulates the action of cardiovascular, immune, metabolic or reproductive function. α/β hydrolase domain containing 6 (ABHD6)—an enzyme forming part of the endocannabinoid system—is a newly discovered post-genomic protein acting as a 2-AG (2-arachidonoylglycerol) serine hydrolase. We have recently reported a series of 1,2,5-thiadiazole carbamates as potent and selective ABHD6 inhibitors. Here, we present comparative molecular field analysis (CoMFA) and molecular dynamics studies of these compounds. First, we performed a homology modeling study of ABHD6 based on the assumption that the catalytic triad of ABHD6 comprises Ser148–His306–Asp 278 and the oxyanion hole is formed by Met149 and Phe80. A total of 42 compounds was docked to the homology model using the Glide module from the Schrödinger suite of software and the selected docking poses were used for CoMFA alignment. A model with the following statistics was obtained: R2 = 0.98, Q2 = 0.55. In order to study the molecular interactions of the inhibitors with ABHD6 in detail, molecular dynamics was performed with the Desmond program. It was found that, during the simulations, the hydrogen bond between the inhibitor carbonyl group and the main chain of Phe80 is weakened, whereas a new hydrogen bond with the side chain of Ser148 is formed, facilitating the possible formation of a covalent bond.Graphical Left–right: Docking pose of 1 in the binding pocket of α/β hydrolase domain containing 6 (ABHD6) selected for molecular alignment; CoMFA steric and electrostatic contour fields; changes in potential energy of the complex during simulations for the complex of 6 and ABHD6Electronic supplementary materialThe online version of this article (doi:10.1007/s00894-015-2789-8) contains supplementary material, which is available to authorized users.

Molecular docking, 2D and 3D-QSAR studies of new indole-based derivatives as HCV-NS5B polymerase inhibitors

Hepatitis C virus (HCV) is a main cause of liver disease worldwide and a potential cause of considerable malady and mortality in the future. The docking and molecular dynamics simulation (MDs) have been carried out on a series of indole-based derivatives into the cavity of HCV-NS5B polymerase. The docking and MDs led to recognition of the best conformers of inhibitors and also determination of the key interacting amino acids of the binding site of the protein packet. In addition, the conformers are very similar to bioactive ones which in turn will guarantee the most reliable and predictive models in 2D and 3D-QSAR studies. To find the correlation between inhibitory activities of ligands against HCV-NS5B, a comparative molecular field analysis (CoMFA) study, as a 3D-QSAR method, was carried out and the corresponding contour maps of electrostatic and steric fields were computed. Furthermore, 2D descriptors were calculated utilizing the optimal conformers. In the case of 2D-QSAR, a variable selection was applied by genetic algorithm (GA), followed by model building using partial least squares (GA-PLS) and support vector machine (GA-SVM) regression methods. The predictive ability of the proposed models was validated by a structurally diverse test set of 22 compounds that had not been included in the training step. The q 2 and the $$r_{\text{pred}}^{2}$$ values for CoMFA, GA-PLS and GA-SVM models were 0.521, 0.655, and 0.746 and 0.659, 0.881, and 0.967, respectively. Moreover, the molecular interactions of these inhibitors with the HCV-NS5B’s active site residues were properly discussed.

Combined Autodock and comparative molecular field analysis study on predicting 5-lipoxygenase inhibitory activity of flavonoids isolated from Spatholobus suberectus Dunn.

5-Lipoxygenase (5-LOX) plays a key role in the pathway of leukotriene biosynthesis. To predict the inhibitory activity of flavonoid inhibitors against 5-LOX from Spatholobus suberectus Dunn, Autodock 4.2 and comparative molecular field analysis (CoMFA) were employed. For the positive inhibitors (n=7), the value of the coefficient of determination (R2) between the binding free energy, calculated using Autodock 4.2, and the experimental pIC50 is 0.838. In the training set (n=21) of inhibitors against 5-LOX, the R2 of non-cross-validated partial least squares analysis between the actual and predicted pIC50 values, using the no-validation with the optimum number of components set to 6, is 0.997 (p=0.000). For the model generated by CoMFA, the contribution of electrostatic and steric factors are 0.522 and 0.478, respectively. Among the flavonoids of S. suberectus, liquiritigenin, catechin, butin, 3',4',7-trihydroxyflavone, plathymenin, and gallocatechin are the more potent inhibitors of 5-LOX based on the calculated binding free energy and the predicted pIC50 value.