Miracle-dz/UniFAR-FTUs huggingface dataset:
Molecular determinants of ligand specificity in carbohydrate-binding modules: an NMR and X-ray crystallography integrated study

The microbial plant cell wall degradation is one of the most important processes in the global turnover of atmospheric carbon dioxide. The work presented in this thesis addressed the cellulosomes of Clostridium thermocellum and Bacteroides cellulosolvens, essential to the process of cellulose degradation, and aimed to study some of the components involved in their architecture (cohesins and dockerins) and efficiency (Carbohydrate-Binding Modules CBMs). For this I used a combination of Nuclear Magnetic Resonance (NMR), X-ray crystallography and computer modeling techniques. My objective was to help rationalize the molecular determinants of specificity of CBMs, including the CtCBMs of families 11, 30 and 44, and the mechanisms of molecular recognition between cohesins and dockerins. In Chapter I, I present a general introduction to the theme of degradation of plant cell walls, with special attention to the cellulosome and its components. In Chapter II, I discuss the structural characteristics of the CtCBM11 based on the structures obtained by NMR at 25 and 50 °C and the structure obtained by crystallography. I found that although similar, the structures show some differences, particularly regarding the binding cleft area, which explains the negative results obtained by cocrystallization. In Chapter III and IV I study the molecular determinants of specificity in modules CtCBM11, 30 and 44, based on NMR and computer modeling data. I found that the atoms of the cellooligosaccharides most important for binding are the ones at positions 2 and 6 of the central units of the ligands. Moreover, I characterized the mechanisms responsible for selection and binding of these modules to various substrates. I established that binding occurs by a mechanism for conformational selection, where the topology of the residues of the protein, the conformation of the ligand and the number of glucose units, play a fundamental role. Chapters V and VI reveal the determination of the 3D structure of the cohesin-module Xdockerin complex of C. thermocellum and the cohesin-dockerin complex of B. cellulosolvens, respectively. Both complexes belong to the type II and their analysis allowed obtaining important information about the structural features that define the cohesin-dockerin interaction. The structure belonging to C. thermocellum revealed that the module X is essential for the stability of the complex. Moreover, for the first time the 3D structure of a cohesin-dockerin complex from B. cellulosolvens was determined. In this complex the dockerin is rotated 180o when compared to other complexes. This gives the cellulosome plasticity. In the final chapters, I present the NMR and X-ray crystallography techniques I used throughout the study. Finally, I draw some general conclusions about all the work done.
Treatment, characterization and Pb2+, Cu2+, Ni2+ and Zn2+ adsorption behaviour of chemically treated bentonite clay: a comparative study

A sample of bentonite from Mostaganem (N.W. Algeria) was characterized by powder X-ray diffraction, FT-IR spectroscopy and elemental analysis. The acid-activated bentonite was employed as adsorbent for four heavy metal ions from aqueous solutions by mean of batch experiments. The effect of shaking time, pH of aqueous solution, metal concentration and adsorbent amount was studied. The effective pH range was found to be in the range 4 to 6, in which Algerian bentonite showed significant removing potential for Pb2+, Cu2+, Zn2+ and Ni 2+ ions from aqueous solutions.
Web-based Supplementary Materials for “ Quantification of the Dose-Response Relationship for a Continuous Treatment in the Presence of Confounding or Informative Non-Compliance ” by

where u ∼ N(0, G) and 2 ∼ N(0, R) with u and 2 independent. This model can be interpreted as Y |β, u ∼ N(Xβ+Zu,R), u ∼ N(0, G), yielding (on integrating out u) the marginal model Y |β ∼ N(Xβ,ZGZ + R). Let V = ZGZ + R. Then the maximum penalized likelihood estimates of β and u given G and R are given by θ̂ = [ β̂ û ] = (CTR−1C + B)−1CTR−1y (A.2) where C = [X Z] and B is the block diagonal matrix with blocks 0 and G−1. The variance of the estimators are given by Var[θ̂] = (CTR−1C + B)−1. Fitted values are obtained routinely as
Molecular simulation of simple fluids and polymers in nanoconfinement

OF THE DISSERTATION Molecular Simulation of Simple Fluids and Polymers in Nanoconfinement By CHRISTOPHER JOHN RASMUSSEN Dissertation Director: Alexander V. Neimark Prediction of phase behavior and transport properties of simple fluids and polymers confined to nanoscale pores is important to a wide range of chemical and biochemical engineering processes. A practical approach to investigate nanoscale systems is molecular simulation, specifically Monte Carlo (MC) methods. One of the most challenging problems is the need to calculate chemical potentials in simulated phases. Through the seminal work of Widom, practitioners have a powerful method for calculating chemical potentials. Yet, this method fails for dense and inhomogeneous systems, as well as for complex molecules such as polymers. In this dissertation, the gauge cell MC method, which had previously been successfully applied to confined simple fluids, was employed and extended to investigate nanoscale fluids in several key areas. Firstly, the process of cavitation (the formation and growth of bubbles) during desorption of fluids from nanopores was investigated. The dependence of cavitation pressure on pore size was determined with gauge cell MC calculations of the nucleation barriers correlated with experimental data. Additional computational studies elucidated the role of surface defects and pore connectivity in the formation of cavitation bubbles. Secondly, the gauge cell method was extended to polymers. The method was verified against the literature results and found significantly more efficient. It was used to examine adsorption of polymers in nanopores. These results were applied to model the dynamics of translocation, the act of a polymer threading through a small opening, which is implicated in drug packaging and delivery, and DNA sequencing. Translocation dynamics was studied as diffusion along the free energy landscape. Thirdly, we show how computer simulation of polymer adsorption could shed light on the specifics of polymer chromatography, which is a key tool for the analysis and purification of polymers. The quality of separation depends on the physico-chemical mechanisms of polymer/pore interaction. We
Financial Inclusion and Economic Growth : Evidence in the Digital Environment of Developing Countries

HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L’archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d’enseignement et de recherche français ou étrangers, des laboratoires publics ou privés. Financial Inclusion and Economic Growth : Evidence in the Digital Environment of Developing Countries Tarna Silue
Reducing the Trusted Base

Last spring, Dan Wallach surprised many of us by saying that the purpose of an election is not to name the winner, it is to convince the losers that they lost [1]. In retrospect, this is fairly obvious; while it is generally easy to convince the announced winner that the election was conducted honestly and accurately, the losers are frequently skeptical. It is generally the announced losers who will look carefully at the results, seeking out any discrepancy and suspicious of all assurances of honesty provided by the experts and officials.
Affecting Casein Micelles by Pulsed Electrical Field (PEF) for Inclusion of Lipophilic Organic Compounds

The increased consumption of reduced-fat or non-fat products leads to a reduced intake of fat-soluble bioactive substances, such as fat-soluble vitamins. Due to their natural role as transport systems for hydrophobic substances, casein micelles (CM) might depict a viable system. The structure of CM is characterized by a lipophilic core stabilized by an electric double layer-like structure. Modification allows accessibility of the core and, therefore, the inclusion of fat-soluble bioactive substances. Well-known modifications are pH reduction and use of rennet enzyme. A completely new procedure to modify CM structure is offered by pulsed electrical fields (PEF). The principle behind PEF is called electroporation and affects the electric double layer of CM so that it is interrupted. In this way, lipophilic substances can be incorporated into CM. In this work, we evaluated integration of β-carotene into native CM by an industry-compatible process to overcome disadvantages associated with the use of Na-caseinate and avoid great technical effort, e.g., due to treatment with high hydrostatic pressure. Our research has shown that PEF can be used for disintegration of CM and that significant amounts of β-carotene can be incorporated in CM. Furthermore, after disintegration using PEF, a combination of another PEF and thermal treatment was applied to restructure CM and trap significant amounts of β-carotene, permanently, ending up with an encapsulation efficiency of 78%.
Co-encapsulation of curcumin and tamoxifen in lipid-chitosan hybrid nanoparticles for cancer therapy

ABSTRACT Background Lipid-polymer hybrid nanoparticles (LPHNP) are used for drug delivery due to their high advantages over polymeric or lipid nanoparticles. Materials and methods Tamoxifen-Curcumin-loaded-LPHNPs (Tmx-Cu-LPHNPs) were synthetized by the ionic gelation method, and after characterization and calculation of the encapsulation efficiency, its antioxidant power, anti-cancer and anti-metastatic effects were examined. Results Tmx-Cu-LPHNPswith size of 232.12 nm, PDI: 0.22, ζ-p: 35.12 mV and encapsulation efficiencies92% and 74% for Cu and Tmx (respectively) inhibited cancer cells more strongly than normal cells.In addition, Tmx-Cu-LPHNPsinhibited ABTS (IC50: 998.125 μg/ml), DPPH (IC50:164.87 μg/ml) free radicals as well as reducing iron ions.Up regulation of P53 and Caspase-9, flow cytometry and AO/PI staining demonstrated proapoptotic effects of Tmx-Cu-LPHNPs. Suppression of metastasis in cancer cells confirmed by scratch assay and decreased expression of metalloproteinase (MMP-2, 9) genes. Conclusion Tmx-Cu-LPHNPs can be a promising factor in the treatment of cancer with appropriate therapeutic effects.
THE INFLUENCE OF JOB SATISFACTION AND ITS EFFECT ON EMPLOYEE TURNOVER INTENTION IN FINANCIAL SERVICE INDUSTRY OF MALAYSIA

High employee turnover has a severe impact on financial service industry, both financially and emotionally. The financial service industries must take a step to recognize possible causes of turnover intention, measure the turnover rate, determine the turnover cost and address the turnover problems seriously. The aim of this study is to measure the determinants of job satisfaction and its effect on employee turnover intention in the financial services industry in Malaysia. In specific, it is to assess the relationships between the independent variables (compensation and benefit, employee recognition, supervision support and promotional opportunity) and employee turnover intention. A total of 127 feedbacks obtained from employees in four selected well-known banks in this study. The survey questionnaires were in the form of google form and were sent via email to the respective representative of the selected bank. The study used two types of data analysis and had identified five (5) hypotheses which were tested using statistical technique SPSS version 26. The descriptive analysis was used to gauge the respondent’s demographic information such as gender, age, education level, bank served and tenure of services. Meanwhile the inferential analysis was mainly for examining the relationship between compensation and benefit, employee recognition, supervision support, promotional opportunity and employee turnover intention. The results revealed promotional opportunity is the strongest predictor in influencing employee turnover intention with unstandardized coefficients, β = . 673, t = 7.016 p Article visualizations:
Quantitative analysis method for laminar-turbulence transition process of mechanical seal by a catastrophic model

Fluid flow regime has an important influence on the lubrication performance of mechanical seal. A novel method is proposed to analyze the flow regime transition quantitatively based on a cusp catastrophic model with dimensionless analysis. Furthermore, from this method, a turbulence transition factor is derived strictly to describe the turbulent transition process of mechanical seal, which is verified by the published results. Then this factor is applied to hydrodynamic lubrication mechanical seal to analyze the influence of flow regime on sealing performance. The results indicate that the performance parameters of mechanical seal are greatly influenced by the transition of fluid flow regime, and the stability of mechanical seal decreases in the transition to turbulent flow. The novel method of flow regime transition analysis provides a new insight into the turbulence model.
Nitric oxide induced thermotolerance in strawberry plants by activation of antioxidant systems and transcriptional regulation of heat shock proteins

ABSTRACT An experiment was conducted to examine whether application of sodium nitroprusside (SNP), a donor of NO, can improve thermo-tolerance of strawberry (Fragaria × ananassa) plants through inducing antioxidant system, and up-regulating heat stress transcription factors (HSFs) and heat shock proteins (HSPs) genes. Ventana strawberry plants were exposed to various temperatures (25, 35, and 40°C) for 24 h after pre-treatment with 0, 50, and 100 μM SNP. Heat stress significantly induced malondialdehyde and hydrogen peroxide (H2O2) contents, and increased accumulation of proline, whereas reduced relative water content (RWC), leaf chlorophyll fluorescence, and carotenoid content. In addition, heat stress enhanced superoxide dismutase and guaiacol peroxidase activities, increased glutathione and ascorbic acid contents, and reduced catalase and ascorbate peroxidase activities. Pre-treatment with SNP, especially at 100 μM, ameliorated heat injury by controlling the overaccumulation of H2O2, reducing lipid peroxidation, improvement of RWC, and increasing the enzymatic and non-enzymatic antioxidants. Transcriptomic profiling analysis showed that the expression of FaTHSFA2a, FaTHSFB1a, HSP70, and HSP90 in SNP pre-treated plants was significantly higher than non-treated plants after 2 h of heat stress at 40°C. These results suggested that NO alleviates heat-induced oxidative damage by modulating antioxidant pathways and fast inducing the expression of heat-stress related genes.
Bioactive Substances of Cydonia oblonga Fruit : Insecticidal Effect of Tannins on Tribuliumm confusum

ABSTRACT The objective of this study was to evaluate the phytochemical, antimicrobial, and insecticidal properties of tannins derived from Cydonia oblonga fruit. Qualitative and quantitative methods were used for the determination of the phytochemicals of Cydonia oblonga fruits. The tannins of this fruit were extracted using solvents and salts, and their antimicrobial activity against S. aureus ATCC 25923 and E.coli ATCC 25322 and C.albicans was investigated. The lethal effect of tannins extract was evaluated on Tribolium confusum under controlled laboratory conditions (at temperature 28 ± 2°C, relative humidity 75 ± 5%, and photoperiod of 16:8). The obtained results showed very interesting levels of tannins extraction (9.66%, 7.33%) using solvents and salts, respectively. The obtained tannins exerted no antimicrobial activity for the tested strains. On the other hand, all doses (50 μl, 100 μl, and 200 μl) of tannins tested on Tribolium confusum adults by the inhalation method showed a bio-insecticidal effect with an LD50 of 109.64 μl of tannin extract. Cydonia oblonga fruit can be an alternative for the development of natural drugs and insecticides with an important role in the fight against parasites.
Experimental Stability Study of Modulated Model Predictive Current Controllers Applied to Six-Phase Induction Motor Drives

Modulated model predictive current control techniques are considered an interesting option to control multiphase drives due to their control flexibility and fast dynamic response. However, a practical stability study of those techniques is still missing. This article presents an experimental stability study, to quantify the limits of stability, to modulated predictive current controllers applied to an asymmetrical six-phase induction machine. Experimental results are presented to verify the theoretical analysis results in terms of stability ranges regarding sampling frequency and rotor speed.
Smart Wrist Band for Fitness Monitoring

This research study has put forward a novel design of a smart wearable band on the wrist which collects the data of oxygen saturation, pulse rate, and the number of calories burnt during a physical activity, which is obtained from the heart rate. This collection of data is displayed on the users mobile or smartphone. This information can be used to monitor their activity during their fitness program or physical activities. The system is wearable, and compact. This compact design of the monitoring system, which collects data is designed into a wristband which is widely used by sports players. These wrist bands are used to prevent sweat and minimize strain on wrist. This incorporation of sensors and a wrist band can help the user to track their calories, check their pulse rate, and check their oxygen saturation during or after their physical activity. This allows them to take necessary action according to the readings provided by the wrist band. The fitness of a person can be monitored by calculating the number of calories burned in an activity. This monitoring helps a person track the number of calories that are burned during their sports, fitness activities and other physically intensive activities. This wearable wrist band functions as a fitness monitoring device while also fulfilling its role in making a fashion statement for the user. As a whole, this device is useful for those who want a fashionable and also a functional device that can be used during physical activities like tennis, badminton and other sports. This research study’s attempt to design and develop a wristband is not only compact and functional but also fashionable.
The COVID-19 Pandemic and Diet Change

COVID-19 is now considered one of the world’s greatest challenges. The sale of wild animals at the seafood market in Wuhan, China appears to be the source of this zoonotic disease. During the COVID-19 pandemic, plant-based diets became a preferred diet choice for many people. In this paper, we discuss that trend toward a plant-based diet across the globe and some of the reasons for the shift. We note that there was a rise in plant-based food sales and a simultaneous decline in animal-based meat sales. Sales of meat and seafood plummeted for many reasons, including distrust in meat due to fear of virus contamination, price increases, and also for ethical reasons. Marketing strategies used by meat-alternative companies may have also played a role. While there has been an ongoing trend toward plant-based diets in recent years, that trend seemed to accelerate during the pandemic with more available vegan venues and places with vegan options. Another reason that some people may have started exploring plant-based eating during the pandemic is because of the belief that such healthy eating will boost immunity or provide some other health-related benefit. Plant-based diets are also more cost-effective than diets containing meat, fish, and dairy. We conclude that significant changes need to be made regarding the use of wild animals and livestock in order to prevent future pandemics of zoonotic origin. As the world’s population grows, zoonoses may occur with greater frequency. Encouraging the adoption of healthy plant-based diets around the world with a simultaneous reduction in the use of animals as a food source are necessary and vital steps to prevent future pandemics due to zoonotic disease.
Feasibility of Adding Extraneous Fresh Gas Flow (Heliox or Air) at an Accessory Fresh Gas Flow Entry Point in a Fresh Gas Flow Compensated Anesthesia Machine

Helium can be used as a constituent respiratory gas to decrease the Reynolds number and flow resistance of the gas mixture for patients with lower and upper airway obstruction during anesthesia. Anesthesia machines are generally not fitted for use of helium. This study investigated the feasibility of introducing heliox (80% helium, 20% oxygen mixture) into an anesthesia machine near the reservoir bag. There were no clinically important differences between the 2 gas entry points (for native versus accessory) at any fresh gas flow rate. Our results show that it is feasible to introduce heliox at an accessory gas entry point.
Preparation and mechanical properties of thermo-responsive fibrous hydrogels made from poly(vinyl methyl ether)s.

ポリビニルメチルエ-テル (PVME) のアタクチックポリマーは水溶液を加熱することにより, 温度38℃にて相転移を起こす感温性高分子である. 水溶液でγ線照射により橋かけしたヒドロゲルも水溶液と同様に感温性を示し, 転移点を境に温度変化に応答して膨潤, 収縮する. この応答性が早いゲルを得る目的で, PVMEとアルギン酸ナトリウムとを混合紡糸した後, γ線照射を行うことにより, 繊維状のPVMEヒドロゲルが合成できた. この繊維状ゲルは直径が膨潤時, 400μm, 収縮時, 200μmであり, 長さ方向にも1/2に収縮する等方性ゲルである. ゲルが転移することにより, 単位面積当たりの最大破断強度は9倍, 最大伸度は2. 6倍, ヤング率は5倍に増加する. ゲルの温度を20℃から40℃に変化させた時の転移に基づく熱収縮応力は約100kPaを示し, 生体筋肉の1/3から1/10の値であり, ゲルの温度変化に対する応答性は1秒以下と良好であった.
Defect Contour Detection of Complex Structural Chips

In the manufacture of chips, it is important to detect defects to assess whether the chip is potentially damageable that could cause unnecessary cost. Most assessment rules are set in light of characteristics determined by defect contours, such as area and range. However, conventional image process methods seldom show a satisfactory performance on chips with complex structures because they are difficult to distinguish defect contours from edges of structures. To solve this issue, this study proposes a method based on region segmentation search. The positions of structures in the image are calculated by edge matching to obtain the number of structure layers in each pixel. Regions whose pixels have the same number are divided into subregions which are coded by the two-pass algorithm. The edges in each subregion are then extracted by the Canny operator to construct edge information of the whole image. Interpolation is used to correct incomplete defect edges according to their endpoints. The remaining interference contours are eliminated on the basis of their shapes. A study of a certain kind of chips is presented. Different illumination situations were simulated to verify the robustness of the proposed method. Most bubbles in the images were detected successfully with their contours coded accurately. Because of this, more than 92% of assessment results of chips were identical to the ones in reality engineering, which proves that the method proposed by this study can efficiently detect the defect contours and improve the ability obviously relative to the current approaches.