University of Florida, USA
Regulatory polymorphisms in drug metabolizing enzymes and their clinical relevance
Danxin Wang earned her M.D degree at Fudan University Medical School, Shanghai China and Ph.D. at Institute of Pharmacology and Toxicology Beijing, China. Currently, she is an Associate Professor in Department of Pharmacotherapy and Translational Research at University of Florida. She has published over 70 research papers and has several United Sate Patent Applications. Her research interest is to discover pharmacogenetic/pharmacogenomics biomarkers for personalized drug therapy, focusing on understanding the genetic, epigenetic and non-genetic factors determining inter-person variability in drug metabolism.
Drug exposure and therapeutic outcomes are greatly affected by substantial variability in drug metabolism. Cytochrome P450s (CYPs) constitute the main enzyme metabolizing nearly 70% of currently used drugs. Genetic factors play a major role in determining an individual’s enzyme activities, but are still partially resolved, despite intense studies performed over decades. Common protein-coding variants of drug metabolizing CYPs are readily detectable and have been extensively studied; yet, a large portion of inter-person variability in CYPs’ activities remain unaccounted for. Variable gene expression and regulation represent a second main cause of variability in CYPs but have not been systematically analyzed for most drug metabolizing CYPs thus far. In this talk, I will focus on regulatory polymorphisms in several drug metabolizing CYPs (CYP3A4, CYP2D6 and CYP7A1), and discuss their clinical relevance. Moreover, I will discuss the interactions between more than one variants in the same gene locus. The results emphasize the importance of identifying all variants (coding and regulatory), understanding their interactions, and incorporating them into pharmacogenetics testing panels to improve genotype-phenotype predictions.
American University of Health Sciences, United States
Nasal Passive Immunization in Alzheimer’s Disease - Still a Hope
Will be updated shortly
Alzheimer’s disease (AD) is an irreversible progressive neurodegenerative disorder currently afflicting >5 millionAmericans and >46 million people worldwide. By the mid-century these numbers are expected to escalate by>16 million Americans and >130 million people worldwide suffering from AD, if effective Alzheimer’s diseasemodifyingtreatment(s) are not discovered. Currently, there are only five drugs approved by the FDA to treat AD.These approved drugs including cholinesterase inhibitors, N-methyl-D-aspartate (NMDA) receptor antagonist ortheir combination usually provide temporary and incomplete symptomatic relief accompanied with severe sideeffects. The marginal benefits were unable to slow the progression of AD. Thus, developing drugs for moreeffective AD treatment is in urgent need. Despite the development of many hypotheses based on themultifactorial nature of AD, amyloid cascade hypothesis continues to dominate AD therapeutics, reinforcing Aßclearance by immunotherapy as an important choice for treating AD. Although the first active AD vaccine(AN1792) developed by ELAN showed some beneficial effects such as less cognitive decline, it was suspendedowing to serious side effect, or meningoencephalitis. Systemic passive immunotherapy did not do much betterthan active immunotherapy. Different antibodies targeting different epitopes of Aß i.e. BapineuzumabCrenezumab, Solanezumab and Ponezumab have failed in clinical trials, along with the failed phase IIIEXPEDITION3 trial of Solanezumab showing moderate benefit in Clinical Dementia Rating and Mini-MentalState Examination. Despite these limitations, immunotherapy may still be the better approach to modify theextent of neurodegeneration in AD, if successful in circumventing systemic adversities. Major problemsassociated with active immunization include hypo-immune state of aged patients who are unable to producesufficient amount of anti-Aß antibody and blood brain barrier (BBB) penetrance. While systemic passiveimmunization is posed with >10 greater loading of periphery with anti-Aß antibody to facilitate sufficient amountof anti-Aß antibody to reach the brain, that produces hemorrhage. In that regard, we have shown that that directdelivery of anti-Aß antibodies via intracerebroventricular (ICV) route, circumvented systemic adversities andexerted pronounced beneficial effects in the transgenic mouse models of AD, even when used in small quantities.To further overcome the “invasiveness” of direct delivery ICV route, the use of a non-invasive nasal route of braintargeting is gaining considerable attention which utilizes olfactory, rostral migratory stream, and trigeminal routesto reach the brain. The nasal mucosa offers a large surface area, rapid absorption, and avoidance of first-passmetabolism increasing drug bioavailability with less systemic side effects. This presentation discussestranslational potential of nasal passive immunization in Alzheimer’s disease.
University of ARIZONA, United States
UPPER model (Unified Physical Property Estimation Relationships) to predict nine essential physicochemical properties of pure compounds
Will be updated shortly
UPPER is a comprehensive model for the estimation of 16 bio-relevant physicochemical properties of organic compounds, including Heats of boiling and melting, entropies of boiling and melting, melting point, boiling point, molar volume, vapor pressure, solubilities in water and in octanol, and octanol-water, air-water, and air-octanol partition coefficients. The key to the success of UPPER is its use of the calculation of melting point from the enthalpy and entropy of fusion. Both are dependent on chemical structure, but in different ways. UPPER utilizes group contribution values to calculate enthalpic properties and geometric parameters to calculate entropic properties. It is based on a system of sound thermodynamic relationships that relate these properties to one another. Because UPPER doesn’t use a melting point training set for the calculation of melting points, it can serve as a guide for the design of compounds with optimal physical properties
Cairo University, Egypt
Oral:Mapping Analytical Methods for Stability Assessment and Degradation pattern Evaluation of the Recently FDA Approved Ramucirumab; Critical Quality Attributes and Regulatory Considerations
Prof. Dr. Maha Abdelmonem Hegazy has completed her PhD in Analytical Chemistry by Faculty of Pharmacy, Cairo University. She has worked as professor of Analytical Chemistry at Cairo University. She has published 108 papers in reputed journals in the field of chemometrics and pharmaceutical analysis. She had achieved 1029 citations and an h index of 16 (goo.gl/u7Qf1V) and was ranked within the top ten researchers of Cairo University in the year 2015. She has been serving as a director of the computer center at Faculty of Pharmacy, Cairo University. She has been working in the field of Accreditation of testing laboratories and PT providers since 2010 at the Egyptian Accreditation Council.
A need for new approaches for assuring biopharmaceutical products quality has been emerged with the increased complexity of medicines and addopting advanced manufacturing ways. Moreover an increased regulatory emphasis on process understanding and quality have been emerged. FDA, EMA and ICH have drawn attention to a number of structural features that have to be assessed to confirm consistent batch production and ensuring control of the manufacturing process for regulatory acceptance of biotherapeutics. Critical quality attributes (CQAs) have to be assessed through structural characterization. Significant differences between batches need to be investigated, therefore new tools of design of experiments (DOE) and data analysis are needed to generate maximum information for quality assessment of biotherapeutics. Mapping analytical methods for multiple quality attributes is also required to ensure method’s ability to detect relevant differences between samples. Recently, monoclonal antibodies (mAbs) have generated much interest in treatment of various life-threatening diseases. Ramucirumab (RAMI) was recently approved for stomach cancer treatment. RAMI was subjected to different physicochemical stress conditions namely; mechanical agitation, pH, temperature, and repeated freeze-thaw cycles. SE-HPLC method was developed and validated for monitoring RAMI monomer peak (mono-RAMI) under the former stress conditions. An optimized SE-HPLC system was established. Percent degradation was shown to reliably reveal slight changes in product stability, rather than expressing the results using % Purity. Results augmented an alarm regarding the safety and effectiveness of multi-dose RAMI vials of refrigerating storage. The necessity for developing validation of in-house testing practice by local regulatory authorities is crucial to avoid the entrée of substandard bio-therapeutics to local markets was discussed.
University of IOWA, USA
Oral: Micro emulsions as a diluent for insoluble active pharmaceutical Ingredients (API).
Professor Socrates Egito received his PhD in 1994 in Paris (France) at the Universite de Paris XI and spent two years as Visitor Professor at the University of Georgia, USA, in 2001 and at the University of Florida, in 2011. Actually, he is in a sabbatical year at The University of Iowa. He joined the Department of Pharmacy at the Federal University of Rio Grande do Norte (UFRN), Brazil, in 1995. He became Professor on Pharmaceutics at the UFRN in 2012 and Director of the LaSiD (Laboratory of Dispersed Systems) since 1996.
Microemulsion, usually defined as a physically thermodynamic stable system, presents a different aspect as a drug delivery system. Although discovery on the 40’s, only on the 90’s it has been used as a drug delivery system. Indeed, microemulsion is not only able to improve the apparent solubility of APIs, but also change its bioavailability. The most famous marketed microemulsion system is the Propofol, the lipophilic intravenous anesthetic that killed Michael Jackson. This speech will deal with the advantages and disadvantages of microemulsion as a drug delivery system and the particularities involved on its pharmaceutical production. Several approaches will be discussed, and the challengers in such development will be presented.
Ioannis K Toliopoulos
Konstantinion Research Center of Molecular Medicine and Biotechnology, Greece
The diagnostic and therapeutic efficiency of end stage cancer patients via bioactive substances, specific electromagnetic fields, and 25 monoclonal antibodies as biomarkers. (The new Era Cancer diagnosis and Immunotherapy)
Dr. Ioannis K. John Toliopoulos studied Biology (Bsc) in Chicago, USA, earned a PhD, in clinical laboratorial Physiology in Medical University of Ioannina, GREECE, in immunodiagnostic and immune stimulation of NK cells against cancer cells, and a fellowship and Post doc in reproductive immunology for unexplained infertility, miscarriages, and failed IVFs with the best professors in immunology in Chicago, USA.
A subpopulation of lymphocytes called Natural Killer cells, which have tremendous lethal capacityThe study of the function of the NK cytotoxicity is very important and demonstrated in this thesis by in vitro and in vivo experiments. Subtances tests in vitro, apigenin, resveratrol, thymole, genistein (in concentrations 3x10-3 ?, 3x10-4 ?, 3x10-5 ?, 3x10-6 ?), etc. The in vivo experiments included a group of 15 end-stage cancer patients with solid tumors. Resonant radiofrequency EMFs emitted by radiofrequency generator used plus antioxidants such as ascorbic acid, a-tokoferol, complex vanadium supplements and they some of them were treated with chemotherapy. The in vitro results were very interesting because there were investigated supplements that increased the NK cytotoxicity significantly. The most important and encouraging results are the one with solid tumors. Specifically, the 15 end-stage cancer patients showed high increase in numbers of the NK and NKT cells and the cytotoxicity of the NK cells increased or remained stable. The significance of this study was that these cancer patients had a normal quality life for the next three, four or five years. The application of antioxidants and electromagnetic treatment in patients with malignant diseases have beneficial effects and are expected to potently contribute to the application of these experimentally investigated methods in contemporary medicine, which will increase in maximum level the quality of life of a cancer patient. Our center has set about 25 monoclonal antibodies to measure them with flow cytometry in order to investigate the progress for prevention and suppression of cancer, alone or in combination with classical therapies. These specific antibodies target individually to metabolism (glucose, glycine, serine, lipid acids, glutamine), multiplication (VEGF, Bcl-2, MARK/ERK, NOX2, CCL5, FGFRs) epithelial mesenchymal transition EMT (Twist, MMPs, Wnt-Notch, TGF-b, CCL2), metastasis (CCL5, LOX, NOX, TGF-b, Wnt-Notch, Shg/Sone Hedgehog, CsCs. Oct4#Yap/Taz), adhesion (PDGF, I-cam, t-pa), and survival (IDO, CD47, PD-L1, survivin, AXL, GLO) of cancer. Key words: NK cells, cancer cells, electromagnetic fields, monoclonal antibodies, pathways
British University in Egypt, Egypt
Pharmacokinetic Evaluation of Empagliflozin in Healthy Egyptian Volunteers Using LC-MS/MS and Comparison with Other Ethnic Populations
Willl be updated shortly
The present study considered the pharmacokinetic evaluation of empagliflozin after administration to Egyptian volunteers, and the results were compared with other ethnic populations. The FDA recognizes that standard methods of defining racial subgroups are necessary to compare results across pharmacokinetic studies and to assess potential subgroup differences. The design of the study was as an open labeled, randomized, one treatment, one period, single dose pharmacokinetic study. The main pharmacokinetic parameters estimated were Cmax, Tmax, t1/2, elimination rate constant, AUC0-t and AUC0-inf. The insignificant difference in pharmacokinetic parameters between Egyptians and white German subjects suggests that no dose adjustment should be considered with administration of 25mg empagliflozin to Egyptian population. A new LC-MS/MS method was developed and validated, allowing sensitive estimation of empagliflozin (25–600ng mL?1) in human plasma using dapagliflozin as an internal standard (IS). The method was applied successfully on the underlying pharmacokinetic study with enhanced sample preparation that involved liquid-liquid extraction. Multiple Reaction Monitoring (MRM) of the transition pairs of m/z 449.01 to 371.21 for empagliflozin and m/z 407.00 to 328.81 for dapagliflozin (IS) was employed utilizing negative mode Electro Spray Ionization (ESI). The validated LC-MS/MS method is suitable for further toxicodynamic and bioequivalence studies.
American University of Health Sciences, USA
Effect of Selected Plant Extracts for their Anti-Differentiating and Anti-Lipogenic Properties in 3T3-L1 Preadipocytes
Will be updated shortly
Obesity is the fifth leading cause of global mortality. At least 2.8 million adults are dying each year as being overweight or obese in the world. These statistics justify the need of new anti-obesity drugs. It is well- known that obesity is a major risk factor for chronic diseases like hypertension/cardiovascular diseases, type-2 diabetes, various cancers, digestive and respiratory diseases. Products from natural sources can be developed faster and less expensively than conventional pharmaceuticals. Fa Ban Xia (Pinelliae Ternatae)/rhizome) is mainly used in Chinese tradition Medicine and in Korea. for treating cough, headache & ulcers. Chickweed (Stellaria media)/ Whole plant) has diuretic, expectorant, anti-asthmatic properties. Fenugreek (Trigonella foenum graceum)/ Leaves) leaves & seeds are used in remedies for diabetes and hyper cholesterolemia in Indian, Arabic and Chinese medicine. Bottle Gaurd (Lagenaria siceraria)/ Skin) is recognized to have anti-hyperglycemic and anti-hyperlipidemic properties especially used in South-East Asia. There are no reports found in literature on their anti-adipogenic/-obesity effects. We, therefore, decided to study these properties using 3T3-L1 pre-adipocytes. Extracts were prepared in 15% ethanol (at room-temperature), lyophilized and were reconstituted in distilled water. For experiment purpose, two dilutions (high = 32.4 mg/ml and low = 16.2 mg/ml concentrations) were prepared for all plant extracts. 3T3-L1 preadipocytes (ATCC) were cultured in growth medium (DMEM+10% calf serum + 1% PS) in cell culture flask, later cells were grown in culture media, and harvested for experiment. Differentiating media was used for diffentiating cells into matured adipocytes. and maintained in maintenance media. Controls (cells having culture medium only and no plant extract) were run along with experimental wells (cells having different conc. of plant extracts). Oil-O-Red (for lipid content) and cell proliferation assays were carried out using 24 and 96 well plates respectively. For Oil-O-red assay and Cell proliferation assay absorbance was recorded at 490nm using ELISA plate reader. Cell Proliferation assay was done using Promega one step cell titer kit (Cell titer 96® Aqueous one solution cell proliferation assay) kit. Undifferentiated cells had lowest level of lipid content. Lipid content increased as they differentiated into adipocytes. The highest lipid content was noticed in control wells. Orlistat treated wells had similar lipid content to that found for control. The most potent plant extract was that of Fa Ban Xia because it did not allow cells to differentiate and had lowest lipid content in comparison to extracts of chick weed. The effect on differentiation: potency wise (low to high) -can be expressed as: Media control< Orlistat control< Chickweed(low) Fenugreek leaves> Bottle Gourd> Fa ban Xia. Our study showed that the plant extracts studied had anti differentiating, lipid lowering, and antiproliferative properties.
Iván E. Suárez Acelas
University of Santander, Colombia
Effect of amino acid functionalization of polyglycerol ester type additives.
Iván E. Suárez Acelas is a chemical engineer at Industrial University of Santander, Colombia. Currently, he is studying a Master's Degree in Chemical Engineering at the same university. He has an experience as leader of student groups, which highlights the AICHE Student Chapter. Its goal is to provide the national industry with the scientific knowledge acquired during the postgraduate study. His research work is carried out in the Polymer Research Group, in the area of polyglycerol-based additives to be used in the production of warm asphalt mixtures, within a research funded by COLCIENCIAS. The polymer research group has been active in developing journals and publications in specialized journals for more than 30 years, as well as national and international conferences.
The synthesis of polyglycerol is becoming very important due to its remarkable characteristics, since due to the high number of hydroxyl groups it is conferred the polar character and the property of being able to be modified by different reactions such as esterification with fatty acids and amino acids. Polyglycerol is a molecule formed by hydroxyl functional groups (OH) linked by ether bonds, which comes from the reaction of glycerol with itself in the presence of sulfuric acid at 1% w/w as a catalyst. The objective of this research is based on the synthesis of a polyglycerol ester type molecule, which will then be evaluated as an asphalt additive. This additive, among other things, must comply with the characteristic of being amphiphilic and cationic. In the present study, polyglycerol (PG) was synthesized using a microwave reactor, since in this way the reactions are more efficient in terms of less time and amount of catalyst. Esterification reaction with oleic acid was carried out, since it can add a hydrophobic characteristic to the polyglycerol thanks to its chain length and the presence of an unsaturation that gives the polymer flexibility.Polyglycerol ester was modified by esterification reactions with three amino acids: glycine, glutamine and glutamic acid, and at different reaction times. These amino acids differ from each other in terms of their carbon chain, their carboxy groups and their amino groups. The addition of the amino group gives the polymer a cationic character, in addition to the hydrophilic characteristic. Synthesized polyglycerols ester were characterized by the following techniques: analysis with Fourier transform infrared (FTIR) spectra in order to analyze their structural information; differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) in order to assess its thermal properties. Based on the analysis of the test results, comparisons are made and conclusions are given.
Alemu Bejiga Melka
Recovery of metals from highly concentrated acid mine drainage By liquid-liquid extraction
will be updated soon.
The growing consciousness and anxiety about the environment have motivated in the recent years extensive research aiming to develop new efficient technologies for the acid mine drainage (AMD) remediation. AMD has been considered as a pollutant of serious concern because of its acidic nature (pH ranges around 2–4), high concentration of toxic metal ions (Fe, Zn, Al, Cu, Mn), and sulfate. The AMD collected from Mina de São Domingos, Portugal has an initial concentration of: 55 ± 4g/L Fe, 2.60 ± 0.03g/L Zn, 6.2 ± 0.1g/L Al, 4.60 ± 0.07g/L Cu and 0.10 ± 0.01g/L Mn and 157 ± 3 of SO42-. The recovery of largely used metals such as Cu, Zn and Fe from this highly concentrated AMD is still eco-unfriendly and expensive, thus new recovery strategies should be investigated. In the present study, liquid-liquid extraction (LLE), involving selected commercial and new extractants were tested for the recovery of Cu, Zn and Fe from AMD collected at Mina de São Domingos, Portugal. Accordingly, the extraction of copper by ACORGA M5640 in Shell GTL and the subsequent stripping of the metal with H2SO4 solution were optimized. The result revealed that Cu can be extracted by ACORGA M5640 (30% v/v in Shell GTL diluent) with an efficiency of 96%. Copper was then efficiently stripped from the metal loaded organic phase (95%) by 2 M H2SO4. After Cu extraction Fe can be removed from AMD up to 94% by an ionic liquid solution (ALiCY IL) containing cations from Aliquat 336 and anions derived from Cyanex 272, because otherwise it would be co-extracted with zinc. A partial stripping of Fe (50%) was achieved using 8 M H2SO4 solution. Concerning the subsequent recovery of zinc, 52 % was extracted using a synergistic mixture (v/v) of 80% D2EHPA and 20% Cyanex 272 and 99% of Zn was then stripped with 2 M H2SO4. Aiming the development of environmentally sustainable, safe and cheap processes, thus attractive to be employed for the recovery of Cu, Zn and Fe from such wastewater, tests of extractants reutilization after stripping were carried out and the maximum capacities of the extracting and stripping solutions were estimated.Key words: Acid mine drainage, metals recovery, liquid-liquid extraction, extractants, ionic liquids.
François S. Hallac
University of Leeds, UK
The breakage of elongated particles for agitated drying conditions in the pharmaceutical industry
Will be updated soon
Crystal breakage is an issue of great concern to the pharmaceutical industry. Conservation of the desired Particle Size Distribution (PSD) throughout downstream processing is extremely important, as PSD changes are known to affect properties such as bulk density, solubility and flowability. Active Pharmaceutical Ingredients (APIs) are in majority organic and their crystal shape of high aspect ratio; their main breakage mechanism is fragmentation by bending . Anticipating the breakage of elongated particles in agitated drying systems is an active area of research, however, the phenomenon is not yet totally predictable. Computational methods, such as Distinct Element Modelling (DEM), have been used to simulate the flow of particle beds for various stress conditions  and a range of particles aspect ratio . To elucidate the fracture phenomenon of elongated particles in agitated drying, the bending stress of individual crystals needs to be determined within a bed of particles. In this study, a shear cell is built in DEM and mimics the stress experienced by particles in dryers using moving parallel plates and periodic boundaries. Elongated rigid particles are modeled with clumped spheres and experience stress due to the shear application in the box. The bending stress of individual particles is calculated during the simulation and a bending stress distribution is obtained for the given particle properties (mechanical, physical) and stress condition (normal, shear). The bending stress distribution is combined with the experimental breakage strength distribution of Beta-Glutamic Acid (?-LGA) crystals , allowing the estimation of the extent of breakage within the particle bed during the shearing phase. The extent of breakage is found to increase exponentially with the hydrostatic pressure for agitated drying conditions in the pharmaceutical industry. The financial contribution of the EPSRC Centre for Doctoral Training in Complex Particulate Products and Processes (CDT CP3) is gratefully acknowledged.
Jelena Hélène Cvejic
University of Novi Sad, Serbia
Omega-3 Fatty acids and their relation to Human Health
Prof. Jelena Helene Cvejic has more than 20 years of Academic experience focused on biologically active compounds - analysis, use, influence on human health; and more than 10 years of Clinical Research experience including Quality Assurance, Line Management and Business Development. She is a Professor at the University of Novi Sad, Serbia (Faculty of Medicine, Department of Pharmacy) and Director of Translational Science at Accelsiors CRO. She is also a Board Member of Pharmabiotics Research Institute and a Scientific Advisor of ILSI Europe Health Benefits Assessment of Foods task force. In the frame of Clinical Research Prof. Cvejic manages cross-functional business development and research teams to execute strategically implemented programs. She is a co-author of more than 50 peer-review scientific publications (articles and book chapters) and reviewer for more than 20 indexed scientific journals, also participating in different international collaborations (eg. Sorbonne University, Scientific Centre of Monaco), research projects (eg.H2020-ERA; H2020-MSCA-RISE) and conferences. She is responsible for teaching several subjects including Instrumental Pharmaceutical Analysis, Analysis of Drugs, Clinical Trials, Stability of Drugs, and Selected Biologically Active Food Ingredients.
Scientific evidence points out that an appropriate intake of long chain polyunsaturated fatty acids (n-3 LCPUFA), widely known as ‘omega-3’, exhibits protective effect on humanhealth. It is recognized that regular consumption of marine n-3 LCPUFA, eicosapentaenoic acid (20:5 n-3; EPA) and docosahexaenoic acid(22:6 n-3; DHA) reduces risk of chronic and inflammatory diseases. The challenge is the continuous decline of healthy and rich resources of n-3 long chain polyunsaturated fatty acids also known as ‘omega-3 acids’ from fish oil (omega-3), due to continuous growth of world population and demand for food, global pollution and environmental challenges, over-fishing and over farming. Omega-3 depletion has severe negative impacts on our health, in particular, the neonates, the children and the older generation. Omega-3 is known for its positive health effects, which ranges from being essential in neuronal development to its connection with the immune system and its correlation with inflammatory responses and body functions, thus strongly influencing NCD development. Various dietary supplements containing omega-3 are currently available on the market. Additionally, new sustainable sources of these compounds are continuously under development.
Prof. Man Singh
Central University of Gujarat, India
Friccohesity, an index of cohesion and adhesion for a low activation energy drug formulation made using survismeter
Prof. Man Singh is currently Professor and Dean, School of Chemical sciences, Central University of Gujarat, Gandhinagar. He did his M.Sc. from Chaudhary Charan Singh University, Meerut, in 1982 and PhD from University of Delhi, in 1987. He started his academic career from Deshbandhu College, University of Delhi. In year 1999 to 2001, he availed UNDP assignment as Associate Professor, Bahir Dar University, Ethiopia. In 2007-08, he was Visiting Professor, Kyoto University, Japan. In 2014, he was Visiting Professor at UKSW, Warsaw, Poland. He is credited with US, European, Singapore and Indian patents. His invention Survismeter is commercialized by Borosil Limited with catalogue no. 3453. His inventions, the Friccohesity and Man Singh equation are being widely used in scientific community. He has guided dozens of PhD, M. Phil, and master’s students. He is credited with 150 research papers in peer reviewed national and international journals, 08 patents. He has visited several countries like USA, Japan, Switzerland, Germany, Singapore, UK, Thailand, France, and Austria, Nigeria, Nepal, Pakistan, and Warsaw Poland. He works in area of nanomaterial interaction engineering.
Friccohesitically quantized organic drug is a remarkable concept to have a lowest cohesion of a drug molecules with a moderate adhesion with a career fluid i.e. the blood. The drug molecules come together through their residual or electrostatic dipoles to develop interactions. Hence a pharmacodynamics infers drug concentration at a site of action and a resulting effect like time and intensity of therapeutics and adverse effects i.e. drug binding with a receptor. The receptors on neurons in central nervous system to tune pain sensation, on cardiac muscle to affect an intensity of contraction. Drug concentration due to cohesion at a site of receptor determines an intensity of a drug effect because a coagulated drug acquires a higher activation energy. Pharmacokinetics infers a time of drug absorption, distribution, metabolism, and excretion to safe and effective therapeutic action of drugs with a more efficacy and least toxicity. A fundamental science is monodispersion of drug which follows a 1st order kinetic in interacting with the receptor. A drug effect infers its concentration at a site of action, so it is useful to monitor its dispersion on a release. Receptor sites are inaccessible to a coagulated drug molecule due to cohesion or the cohesive forces where a capping inhibits cohesion. The cohesion or cohesive forces orient the drug molecule to develop charge driven activities for self-binding. The stronger cohesion produces a lower friccohesity and the formulation is not capable for better homogenization of a drug. The activities of a drug are engaged in self-bonding on cohesion, its electronic configuration is engaged in binding. The cohesion is weakened by adding suitable ingredient that attract the quantized charges and the activities are initiated to occur. The drug molecules which are out of self-binding domain gain higher kinetic energy due to electronic transition on monodispersion that regulate a contact with receptor. Friccohesitically quantized organic drug is a remarkable concept to have a lowest cohesion of a drug molecules with a moderate adhesion with a career fluid i.e. the blood. The drug molecules come together through their residual or electrostatic dipoles to develop interactions. Hence a pharmacodynamics infers drug concentration at a site of action and a resulting effect like time and intensity of therapeutics and adverse effects i.e. drug binding with a receptor. The receptors on neurons in central nervous system to tune pain sensation, on cardiac muscle to affect an intensity of contraction. Drug concentration due to cohesion at a site of receptor determines an intensity of a drug effect because a coagulated drug acquires a higher activation energy. Pharmacokinetics infers a time of drug absorption, distribution, metabolism, and excretion to safe and effective therapeutic action of drugs with a more efficacy and least toxicity. A fundamental science is monodispersion of drug which follows a 1st order kinetic in interacting with the receptor. A drug effect infers its concentration at a site of action, so it is useful to monitor its dispersion on a release. Receptor sites are inaccessible to a coagulated drug molecule due to cohesion or the cohesive forces where a capping inhibits cohesion. The cohesion or cohesive forces orient the drug molecule to develop charge driven activities for self-binding. The stronger cohesion produces a lower friccohesity and the formulation is not capable for better homogenization of a drug. The activities of a drug are engaged in self-bonding on cohesion, its electronic configuration is engaged in binding. The cohesion is weakened by adding suitable ingredient that attract the quantized charges and the activities are initiated to occur. The drug molecules which are out of self-binding domain gain higher kinetic energy due to electronic transition on monodispersion that regulate a contact with receptor.
University Dr Tahar Moulay, Algeria
Computational Study of Electronic Absorption Spectra of Ni(II), Pt(II) and Pd(II) Photosensitizers Complexes Used in Sensitized Solar Cells (DSSC)
Will be updated soon
The conversion efficiency of DSSC (Dye Sensitized Cell Solar) is defined by the ability of the electron transport, cheap fabrication, flexibility and intense absorption in the visible region of the spectrum. In order to find dyes satisfying these restrictions, many experimental researches have been done to synthesize and to analyze different molecules. Based on previous studies, Santosh K et all synthesized a new complexes: [M(dppf) L]; which M=Ni, Pt and Pd, dppf=1,1’-bis(diphenylphosphino) ferrocene, L= p-tolylsulfonyl dithiocarbimate. These complexes have been characterized using spectroscopic methods (IR, 1H, 13C and 31P NMR and UV-Vis), cyclic voltammetry and crystal X-ray diffraction. Their light harvesting properties have been investigated. The absorption spectra of these complexes were measured at room temperature in CH2Cl2 solution. They present absorption bands near 385-540 nm. This was interpreted to be due to ligand metal charge transfer (LMCT). The other higher energy bands at 250_350 nm are attributed to the intraligand charge-transfer (ILCT) transitions.Our contribution to study these complexes is set theoretical spectra from quantum calculation. For each complex, a geometry optimization was done to find the optimal structure at the density functional theory (DFT) level. We used the hybrid functional B3LYP, PBE0, and CAM-B3LYP with 6-31G (d,p) and LANL2DZ basis set. All our calculations were performed using Gaussian09 package. The analyses of the frontier molecular orbitals have performed to identify the type of charge transfer. The electronic spectra were calculated using the time dependant density functional theory (TD-DFT). Whereas the solvent effects of methylene dichloride have been included using the integral equation formalism of the polarizable continuum model (PCM). The influences of functional, substitution and solvent on electronic spectra have been assessed. According to the computed results, the geometry optimization was in good agreement with the experimental results from X-ray diffraction. As experimentally observed, computations results reveal that all complexes show a tree absorption bands in UV region and very low absorption one in visible region. We have assigned these bands to the electronic transitions answerable for their appearance; they are characterized by mixed character mainly dominated by MLCT and LLCT character.Keywords: TD-DFT, Transition, Photosensitizers.
Sharif University of Technology, Iran
Copper (II) ions Supported on Functionalized Graphene Oxide: An Organometallic Nanocatalyst for Oxidative Amination of Azoles via C?H/ C-N Bond Activation
Masoumeh Behzadi is a postdoctoral researcher in field of Tissue Engineering at the department of chemical & petroleum engineering, Sharif University of Technology, Tehran, Iran from May 2018 to November 2020 in Professor Ahmad Ramezani Saadatabadi Also, she works simultaneously as a research assistant in Nanocatalysts synthesis based on Functionalized-GO structure at department of chemistry, Sharif University of Technology in Professor Mohammad Mahmoudi Hashemi from 2015-2019.She has completed a Ph.D in organic chemistry. She is expertize on the synthesis of the heterocyclic compounds and Nanocatalysts.
The transition-metal-catalyzed selective C-N bond formation reaction of azoles is an efficient approach in synthetic organic chemistry whereas five-membered heterocycles with amine group are widely applicable in biological, pharmaceutical, and material sciences1 Many synthetic methods, including cyclocondensation reactions from two functionalized precursors (e.g. Hantszch aminothiazole synthesis),2 palladium-catalyzed Buchwald-Hartwig coupling3 and copper catalyzed Ullmann and Goldberg coupling, have been developed to access this vital motifs. Graphene oxide (GO), a novel and promising two-dimensional (2D) carbon nanomaterial, has attracted extensive attention in organometallic compounds synthesis, photochemistry, electrochemistry, and organic catalysis, for the past few years. In this study, we investigated the C-H activation and C-N bond formation of benzoxazole and benzothiazoles with secondry amines and O2 as a green oxidant. However, the success of this synthetic procedure rely on employing a recoverable organometallic nanocatalyst. To achieve this goal, we explored whether the use of graphene oxide after chemical modification with primary amine to immobilize copper (II) ions could achieve a better catalytic activity for C (sp2) ?H bond amination reaction. So, a facile and novel method to prepare copper salt of para amino benzoic acid (PABA) grafted on graphene oxide materials (Cu+2@GO-PABA) was reported which could catalyze C-H/C-N reaction of benzoxazole and benzothiazoles with various secondry amines with good yields. The designed synthetic process for functionalized-GO/metal nanocomposite is shown in Scheme 1. This strategy for the synthesis of the activated nanocatalyst relies on three simple steps. First, the exfoliated graphene oxide (GO) nanosheets were prepared from natural graphite by the modified Hummer’s method without using sodium nitrate as an additive reagent.5 Furthermore, in order to eliminate the generated toxic gases, a mixture of H2SO4/H3PO4 (9:1 volume ratio) was used instead of H2SO4 as a novel approach.5 In this method graphene oxide (GO) nanosheets have usually a size between tens to several hundreds of square nanometers. Second, in the process of fabricating the new activated GO-Cu nanocatalyst, we used para-aminobenzoic acid (PABA) to adjust functionalization of grapheme oxide and imomoblilization of Cu+2 on the surface of the functionalized GO. PABA is chemically grafted on surface GO and increase the carboxyl functional groups for covalently chelating Cu on the GO surfaces. The third key process for preparing GO nanocomposite, the para-aminobenzoic acid supported on GO is reacted first with solution of sodium carbonate and then CuCl2 to give its copper salts as a GO-PABA/Cu+2 which is new and efficient nanocatalyst.