scholarly journals Fundamental study of adsorption and desorption process in porous materials with functional groups

2016 ◽  
Author(s):  
Yonghong Zeng
Keyword(s):  
Porous Materials ◽  
Functional Groups ◽  
Fundamental Study ◽  
Desorption Process ◽  
Adsorption And Desorption

Electrostatic Self-Assembly of Functionalized Nanodiamonds and Their Binding Capacity With Doxorubicin Drugs

2010 ◽  
Author(s):  
Ashfaq Adnan ◽  
Wing Kam Liu
Keyword(s):  
Drug Release ◽  
Cancer Cells ◽  
Functional Groups ◽  
Drug Absorption ◽  
Self Assembly ◽  
The Self ◽  
Adsorption And Desorption ◽  
Drug Adsorption ◽  
Drug Molecules ◽  
Self Assembled

While cancers have no known cure, some of them can be successfully treated with the combination of surgery and systematic therapy. In general, systemic/widespread chemotherapy is usually injected into the bloodstream to attempt to target cancer cells. Such procedure often imparts devastating side effects because cancer drugs are nonspecific in activity, and transporting them throughout the bloodstream further reduces their ability to target the right region. This means that they kill both healthy and unhealthy cells. It has been observed that the physiological conditions of the fluids around living cells can be characterized by pH, and the magnitude of pH around a living cell is different from cancerous cells. Moreover, a multiscale anatomy of carcinoma will reveal that the microstructure of cancer cells contains some characteristic elements such as specific biomarker receptors and DNA molecules that exclusively differentiate them from healthy cells. If these cancer specific ligands can be intercalated by some functional molecules supplied from an implantable patch, then the patch can be envisioned to serve as a complementary technology with current systemic therapy to enhance localized treatment efficiency, minimize excess injections/surgeries, and prevent tumor recurrence. The broader objective of our current research is to capture some fundamental insights of such drug delivery patch system. It is envisioned that the essential components of the device is nanodiamonds (ND), parylene buffer layer and doxorubicin (DOX) drugs. In its simplest form, self-assembled nanodiamonds - functionalized or pristine, and DOX molecules are contained inside parylene capsule. The efficient functioning of the device is characterized by its ability to precisely detect targets (cancer cells) and then to release drugs at a controlled manner. The fundamental science issues concerning the development of the ND-based device include: 1. A precise identification of the equilibrium structure and self assembled morphology of nanodiamonds, 2. Fundamental understanding of the drug adsorption and desorption process to and from NDs, and 3. The rate of drug release through the parylene buffers. The structure of the nanodiamond (ND) is crucial to the adsorption and desorption of drug molecules because it not only changes the self-assembly configuration but also alters the surface electrostatics. To date, the structure and electrostatics of NDs are not yet well understood. A density functional tight binding theory (DFTB) study on smaller [2] NDs suggests a facet dependent charge distributions on ND surfaces. These charges are estimated by Mulliken Analysis [1]. Using the charges for smaller NDs (∼valid for 1–3.3 nm dia ND) we first projected surface charges for larger (4–10 nm) truncated octahedral nanodiamonds (TOND), and it has been found that the [100] face and the [111] face contain positively and negatively charged atoms, respectively. These projected charges are then utilized to obtain the self assembled structure of pristine TONDs from Molecular Dynamics (MD) simulations [4] as shown in Fig. 1. The opposite charges on the [100] and [111] face invoked electrostatic attractions among the initially isolated NDs and a network of nanodiamond agglutinates are formed as evidenced in Fig. 1(b). This study confirms why as manufactured NDs are found in agglomerated form. The study also suggests that a large fraction of ND surfaces become unavailable for drug absorption as many of the [100] faces are coherently connected to [111] faces. As a result, it can be perceived that effective area for drug adsorption on ND surfaces will be less compared to theoretical prediction which suggests that a 4nm TOND may contain as high 360 drug molecules on its surface [5]. It has been observed that as manufactured NDs may contain a variety of functional groups, and currently, we are studying the mechanism of self-assembly for functionalized nanodiamonds so that we understand the role of functional groups. The next phase of calculation involves binding of the DOX to the NDs. Essentially, the understanding of drug absorption and desorption profile at a controlled rate to and from NDs is the most critical part of the device design. Some recent quantum calculation suggests that part of NDs and drug molecules contain opposite charges at their surfaces; it has been a natural interpretation that interactions between ND and drug molecules should be straight-forward — NDs should attract to drugs as soon as they come closure. Recent experiments [6], however, suggest that NDs usually do not interact with drug molecules in the presence of neutral solutions. Addition of NaCl in the solution improves the interaction dramatically. In the first part of the study, we [3–5] have studied the interaction of single DOX molecules with TOND surfaces via MD simulation. As shown in Fig. 2, this study suggests that DOX molecules first arrange them around the preferential sites on nanodiamonds (e.g. around the [111] face) and then spontaneously attach on the surface. It is also observed that only DOX molecule is attached per facets of TONDs. It can be noted that each TOND has 6 [100] face and 8 [111] faces. Figure 3 shows the energy minimization process during the DOX-ND interaction. It can be noted that these simulations have been performed in vacuum environment. In order to see how DOX interacts in solution media, another set of simulations have been conducted where “vacuum” environment have been replaced with solution media of different pH. Moreover, functionalization on the ND surfaces will create a different environment for the DOX molecules. Research is underway to capture the fundamental physics on the DOX loading and release to and from functionalized nanodiamonds. Once we understand the essential physics of drug loading and unloading, in the future we plan to model diffusion controlled drug release through ND coated film device by incorporating the multiscale science learned from the current study. Results from this study will provide fundamental insight on the definitive targeting of infected cells and high resolution controlling of drug molecules.

scholarly journals Adsorption and Desorption Behavior of Herbicide Mefenpyr-diethyl in the Agricultural Soils of Morocco

2018 ◽  
Vol 7 (5) ◽  
pp. 386-395 ◽  
Author(s):  
Abdellah El Boukili ◽  
Nidae Loudiyi ◽  
Ahmed El Bazaoui ◽  
Abderrahim El Hourch ◽  
M'Hamed Taibi ◽  
...  
Keyword(s):  
Organic Matter ◽  
Adsorption Capacity ◽  
Agricultural Soils ◽  
Organic Matter Content ◽  
Matter Content ◽  
Isotherm Models ◽  
Desorption Process ◽  
Adsorption And Desorption ◽  
Total Percentage ◽  
Adsorption Isotherm Models

The present study was conducted in order to investigate the adsorption and desorption behavior of Mefenpyr-diethyl (MFD) using the batch equilibration technique in four soils, with different ranges of organic matter content, from different regions of Morocco orders of Benimellal (Soil 1), Settat (Soil 2), Sidi Bettach (Soil 3) and EL Hajeb (Soil 4). The adsorption isotherm models Langmuir, linear and Freundlich were used to compare the adsorption capacity of the soils. The results indicated that the Freundlich equation provided the best fit for all adsorption data. The values of KF and Kd ranged from 4.45 to 15.9 and 4.30 to 18.30 L.kg-1 , respectively. The calculated total percentage of desorption values from the Soil 1, Soil 2, Soil 3 and Soil 4 after the four desorption process were 59 %; 55,6 %; 37,5 % and 52,5%, respectively. Highest adsorption and desorption were observed in soil 1, and the lowest was in soil 3. According to the adsorption and desorption results, organic matter and clay seemed to be the most important factors influencing the adsorption capacity of MFD.

Characteristics of Dynamics Sorption Isotherms of Date Flesh Powder Rich in Fiber

2016 ◽  
Vol 12 (5) ◽  
pp. 469-480 ◽  
Author(s):  
Mohammad Fikry ◽  
Alhussein M. Al-Awaadh
Keyword(s):  
Moisture Content ◽  
Water Activity ◽  
Sorption Isotherms ◽  
Isosteric Heat ◽  
Phoenix Dactylifera ◽  
Dynamic Vapor Sorption ◽  
Desorption Process ◽  
Adsorption And Desorption ◽  
Peleg Model ◽  
Wide Range

Abstract Dynamic vapor sorption equipment (AQUADVS) was used to determine adsorption and desorption isotherms for powder rich in fiber (PRF) produced from Palm Date flesh of Sifri cultivar (Phoenix dactylifera L.) at temperatures 25, 35 and 45 °C in a wide range of water activity (0.09–0.87). Equilibrium was achieved within 29 and 25 h for the adsorption and desorption process respectively. The obtained data were fitted to ten models (Peleg, GAB, BET, Halsey, Oswin, Smith, Modified Henderson, Adam and Shove, Modified Oswin and Modified Halsey). The results indicated that the PRF followed type III behavior. The empirical Peleg model was found to be the best to represent the experimental data in the water activity range 0.09–0.87. The isosteric heat of sorption and the differential entropy decreased by increasing the moisture content and can be predicted by polynomial functions. Glass transition temperatures (Tg) of PRF were determined. The Tg decreased as the moisture content increased and can be correlated using the Gordon and Taylor model (R2=0.976). The PRF should be stored at moisture less than 9 d.b.% and temperature less than 35 °C.

EFFECT OF GRAIN SIZE AND ACTIVATION TIME OF ZEOLITE TO ADSORPTION AND DESORPTION OF NH4OH AND KCL AS MODEL OF FERTILIZER-ZEOLITE MIX

Konversi ◽  
2018 ◽  
Vol 6 (2) ◽  
pp. 21 ◽  
Author(s):  
Muhammad Prasanto Bimantio
Keyword(s):  
Grain Size ◽  
Rate Constant ◽  
Adsorption Process ◽  
Activation Time ◽  
Desorption Process ◽  
Adsorption And Desorption ◽  
Catalyst Carrier ◽  
Three Samples ◽  
Research Procedure ◽  
Desorption Rate Constant

Abstract - Zeolites can be used as adsorbent, ion exchange, catalyst, or catalyst carrier. Application of fertilizer use in the zeolite also be one of the interesting topic. Zeolites in a mixture of fertilizer can use to control the release of nutrients. The purpose of this research is to study the effect of grain size and time of the activation of zeolite to adsorption and desorption of NH4OH and KCl as modeling of ZA and KCl fertilizer, to obtain the value of adsorption rate constant (ka) and desorption rate constant (kd). This research procedure include: the process of adsorption by adding zeolite with various size and time of activation into a sealed beaker glass and let the adsorption process occurs for 24 hours. After 24 hours, the solution was filtered, the zeolite then put in 100 ml of aquadest into a sealed beaker glass and let the desorption process happened for another 24 hours. Three samples with the largest difference solution concentrations looked for the value of the ka and kd. Zeolite configuration with the largest ka is trialed with fertilizer and compared with the value of ka obtained from modeling. The result for NH4OH adsorbate, -50+60 mesh 2 hours configuration zeolite give the largest ka. For KCl adsorbate, -30+40 mesh 4 hours configuration zeolite give the largest ka. The value between modeling and trials with fertilizers are not much different. Keywords: zeolite, ZA fertilizer, KCl fertilizer, mathematical modelling.

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