Academic literature on the topic 'Molecule drug delivery'

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Journal articles on the topic "Molecule drug delivery"

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Berillo, Dmitriy, Adilkhan Yeskendir, Zharylkasyn Zharkinbekov, Kamila Raziyeva, and Arman Saparov. "Peptide-Based Drug Delivery Systems." Medicina 57, no. 11 (November 5, 2021): 1209. http://dx.doi.org/10.3390/medicina57111209.

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Peptide-based drug delivery systems have many advantages when compared to synthetic systems in that they have better biocompatibility, biochemical and biophysical properties, lack of toxicity, controlled molecular weight via solid phase synthesis and purification. Lysosomes, solid lipid nanoparticles, dendrimers, polymeric micelles can be applied by intravenous administration, however they are of artificial nature and thus may induce side effects and possess lack of ability to penetrate the blood-brain barrier. An analysis of nontoxic drug delivery systems and an establishment of prospective trends in the development of drug delivery systems was needed. This review paper summarizes data, mainly from the past 5 years, devoted to the use of peptide-based carriers for delivery of various toxic drugs, mostly anticancer or drugs with limiting bioavailability. Peptide-based drug delivery platforms are utilized as peptide–drug conjugates, injectable biodegradable particles and depots for delivering small molecule pharmaceutical substances (500 Da) and therapeutic proteins. Controlled drug delivery systems that can effectively deliver anticancer and peptide-based drugs leading to accelerated recovery without significant side effects are discussed. Moreover, cell penetrating peptides and their molecular mechanisms as targeting peptides, as well as stimuli responsive (enzyme-responsive and pH-responsive) peptides and peptide-based self-assembly scaffolds are also reviewed.
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Jayaraman, Arthi, Christopher Price, Millicent O. Sullivan, and Kristi L. Kiick. "Collagen-Peptide-Based Drug Delivery Strategies." Technology & Innovation 21, no. 4 (December 1, 2020): 1–20. http://dx.doi.org/10.21300/21.4.2020.9.

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Collagen-targeting strategies have proven to be an effective method for targeting drugs to pathological tissues for treatment of disease. The use of collagen-like peptides for controlling the assembly of drug delivery vehicles, as well as their integration into collagen-containing matrices, offers significant advantages for tuning the morphologies of assembled structures, their thermoresponsiveness, and the loading and release of both small-molecule and macro-molecular cargo. In this contribution, we summarize the design and development of collagen-peptide-based drug delivery systems introduced by the Kiick group and detail the expansion of our understanding and the application of these unique molecules through collaborations with experts in computational simulations (Jayaraman), osteoarthritis (Price), and gene delivery (Sullivan). Kiick was inducted as a Fellow of the National Academy of Inventors in 2019 and was to deliver an address describing the innovations of her research. Given the cancellation of the NAI Annual Meeting as a result of coronavirus travel restrictions, her work based on collagen-peptide-mediated assembly is instead summarized in this contribution.
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Wang, Ye, Yongsheng Wei, Hui Liao, Hongwei Fu, Xiaobin Yang, Qi Xiang, and Shu Zhang. "Plant Exosome-like Nanoparticles as Biological Shuttles for Transdermal Drug Delivery." Bioengineering 10, no. 1 (January 12, 2023): 104. http://dx.doi.org/10.3390/bioengineering10010104.

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Exosomes act as emerging transdermal drug delivery vehicles with high deformability and excellent permeability, which can be used to deliver various small-molecule drugs and macromolecular drugs and increase the transdermal and dermal retention of drugs, improving the local efficacy and drug delivery compliance. At present, there are many studies on the use of plant exosome-like nanoparticles (PELNVs) as drug carriers. In this review, the source, extraction, isolation, and chemical composition of plant exosomes are reviewed, and the research progress on PELNVs as drug delivery systems in transdermal drug delivery systems in recent years has elucidated the broad application prospect of PELNVs.
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Wu, Zhi-Yuan, Cheng-Chang Lee, and Hsiu-Mei Lin. "Hyaluronidase-Responsive Mesoporous Silica Nanoparticles with Dual-Imaging and Dual-Target Function." Cancers 11, no. 5 (May 20, 2019): 697. http://dx.doi.org/10.3390/cancers11050697.

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Nanoparticle-based drug delivery systems are among the most popular research topics in recent years. Compared with traditional drug carriers, mesoporous silica nanoparticles (MSN) offer modifiable surfaces, adjustable pore sizes and good biocompatibility. Nanoparticle-based drug delivery systems have become a research direction for many scientists. With the active target factionalized, scientists could deliver drug carriers into cancer cells successfully. However, drugs in cancer cells could elicit drug resistance and induce cell exocytosis. Thus, the drug cannot be delivered to its pharmacological location, such as the nucleus. Therefore, binding the cell membrane and the nuclear target on the nanomaterial so that the anticancer drug can be delivered to its pharmacological action site is our goal. In this study, MSN-EuGd was synthesized by doping Eu3+ and Gd3+ during the synthesis of MSN. The surface of the material was then connected to the TAT peptide as the nucleus target for targeting the cancer nucleus and then loaded with the anticancer drug camptothecin (CPT). Then, the surface of MSN-EuGd was bonded to the hyaluronic acid as an active target and gatekeeper. With this system, it is possible and desirable to achieve dual imaging and dual targeting, as well as to deliver drugs to the cell nucleus under a hyaluronidase-controlled release. The experimental approach is divided into three parts. First, we conferred the material with fluorescent and magnetic dual-imaging property by doping Eu3+ and Gd3+ into the MSN. Second, modification of the cell membrane target molecule and the nucleus target molecule occurred on the surface of the nanoparticle, making the nanoparticle a target drug carrier. Third, the loading of drug molecules into the carrier gave the entire carrier a specific target profile and enabled the ability to treat cancer. In this study, we investigated the basic properties of the drug carrier, including physical properties, chemical properties, and in vitro tests. The result showed that we have successfully designed a drug delivery system that recognizes normal cells and cancer cells and has good anticancer effects.
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Pardridge, William M. "Drug Transport across the Blood–Brain Barrier." Journal of Cerebral Blood Flow & Metabolism 32, no. 11 (August 29, 2012): 1959–72. http://dx.doi.org/10.1038/jcbfm.2012.126.

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The blood–brain barrier (BBB) prevents the brain uptake of most pharmaceuticals. This property arises from the epithelial-like tight junctions within the brain capillary endothelium. The BBB is anatomically and functionally distinct from the blood–cerebrospinal fluid barrier at the choroid plexus. Certain small molecule drugs may cross the BBB via lipid-mediated free diffusion, providing the drug has a molecular weight <400 Da and forms <8 hydrogen bonds. These chemical properties are lacking in the majority of small molecule drugs, and all large molecule drugs. Nevertheless, drugs can be reengineered for BBB transport, based on the knowledge of the endogenous transport systems within the BBB. Small molecule drugs can be synthesized that access carrier-mediated transport (CMT) systems within the BBB. Large molecule drugs can be reengineered with molecular Trojan horse delivery systems to access receptor-mediated transport (RMT) systems within the BBB. Peptide and antisense radiopharmaceuticals are made brain-penetrating with the combined use of RMT-based delivery systems and avidin–biotin technology. Knowledge on the endogenous CMT and RMT systems expressed at the BBB enable new solutions to the problem of BBB drug transport.
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Goodman, Amanda M., Oara Neumann, Kamilla Nørregaard, Luke Henderson, Mi-Ran Choi, Susan E. Clare, and Naomi J. Halas. "Near-infrared remotely triggered drug-release strategies for cancer treatment." Proceedings of the National Academy of Sciences 114, no. 47 (November 6, 2017): 12419–24. http://dx.doi.org/10.1073/pnas.1713137114.

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Remotely controlled, localized drug delivery is highly desirable for potentially minimizing the systemic toxicity induced by the administration of typically hydrophobic chemotherapy drugs by conventional means. Nanoparticle-based drug delivery systems provide a highly promising approach for localized drug delivery, and are an emerging field of interest in cancer treatment. Here, we demonstrate near-IR light-triggered release of two drug molecules from both DNA-based and protein-based hosts that have been conjugated to near-infrared-absorbing Au nanoshells (SiO2 core, Au shell), each forming a light-responsive drug delivery complex. We show that, depending upon the drug molecule, the type of host molecule, and the laser illumination method (continuous wave or pulsed laser), in vitro light-triggered release can be achieved with both types of nanoparticle-based complexes. Two breast cancer drugs, docetaxel and HER2-targeted lapatinib, were delivered to MDA-MB-231 and SKBR3 (overexpressing HER2) breast cancer cells and compared with release in noncancerous RAW 264.7 macrophage cells. Continuous wave laser-induced release of docetaxel from a nanoshell-based DNA host complex showed increased cell death, which also coincided with nonspecific cell death from photothermal heating. Using a femtosecond pulsed laser, lapatinib release from a nanoshell-based human serum albumin protein host complex resulted in increased cancerous cell death while noncancerous control cells were unaffected. Both methods provide spatially and temporally localized drug-release strategies that can facilitate high local concentrations of chemotherapy drugs deliverable at a specific treatment site over a specific time window, with the potential for greatly minimized side effects.
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Nordon, Galia, Aviram Magen, Ido Guy, and Kira Radinsky. "Learning to Rank Articles for Molecular Queries." Proceedings of the AAAI Conference on Artificial Intelligence 36, no. 11 (June 28, 2022): 12594–600. http://dx.doi.org/10.1609/aaai.v36i11.21532.

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The cost of developing new drugs is estimated at billions of dollars per year. Identification of new molecules for drugs involves scanning existing bio-medical literature for relevant information. As the potential drug molecule is novel, retrieval of relevant information using a simple direct search is less likely to be productive. Identifying relevant papers is therefore a more complex and challenging task, which requires searching for information on molecules with similar characteristics to the novel drug. In this paper, we present the novel task of ranking documents based on novel molecule queries. Given a chemical molecular structure, we wish to rank medical papers that will contribute to a researcher's understanding of the novel molecule drug potential. We present a set of ranking algorithms and molecular embeddings to address the task. An extensive evaluation of the algorithms is performed over the molecular embeddings, studying their performance on a benchmark retrieval corpus, which we share with the community. Additionally, we introduce a heterogeneous edge-labeled graph embedding approach to address the molecule ranking task. Our evaluation shows that the proposed embedding model can significantly improve molecule ranking methods. The system is currently deployed in a targeted drug delivery and personalized medicine research laboratory.
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Choudhary, Yash, Abhishek Verma, Galal Mohsen Hussein Alsayadi, Pallavi Sandal, and Balak Das Kurmi. "Recent advancements in nanoparticles drug delivery systems." Pharmaspire 14, no. 02 (2022): 90–96. http://dx.doi.org/10.56933/pharmaspire.2022.14211.

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Nanoparticles in drug-delivery systems are generated by a variety of research survey. Unique physicochemical characteristics of nanostructured biomaterials include their very small and structural adaptability, high surface area to mass ratio, high reactivity, and controlled size. It enables molecularly focused cancer treatment, targeted administration of early detection of cancer lesions, early detection of cancer lesions, imaging agents, and anticancer medications, identification of tumor molecular factors by non-invasive imaging. These characteristics may be used in medicine to get around some of the drawbacks of conventional treatments. They are employed in vivo to protect the drug entity in the systemic circulation, limit drug access to the targeted areas, and deliver the drug to the site of action at a regulated and sustained pace. It reduces adverse side effects and enables more effective drug use. It must be active and therapeutically effective while in circulation and present at the target location in the right amounts. We will now go through several elements of nanoparticle formulation, the impact of their properties, characterization, and the potential of nanomedicine, improving targeted delivery of therapeutic agents, applications in drug molecule delivery, the development of novel, more powerful diagnostic and screening techniques to expand the boundaries of molecular diagnostics, and difficulties in synthesis nanoparticle platforms for dispensing various drugs.
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Mikitsh, John L., and Ann-Marie Chacko. "Pathways for Small Molecule Delivery to the Central Nervous System across the Blood-Brain Barrier." Perspectives in Medicinal Chemistry 6 (January 2014): PMC.S13384. http://dx.doi.org/10.4137/pmc.s13384.

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The treatment of central nervous system (CNS) disease has long been difficult due to the ineffectiveness of drug delivery across the blood-brain barrier (BBB). This review summarizes important concepts of the BBB in normal versus pathophysiology and how this physical, enzymatic, and efflux barrier provides necessary protection to the CNS during drug delivery, and consequently treatment challenging. Small molecules account for the vast majority of available CNS drugs primarily due to their ability to penetrate the phospholipid membrane of the BBB by passive or carrier-mediated mechanisms. Physiochemical and biological factors relevant for designing small molecules with optimal capabilities for BBB permeability are discussed, as well as the most promising classes of transporters suitable for small-molecule drug delivery. Clinically translatable imaging methodologies for detecting and quantifying drug uptake and targeting in the brain are discussed as a means of further understanding and refining delivery parameters for both drugs and imaging probes in preclinical and clinical domains. This information can be used as a guide to design drugs with preserved drug action and better delivery profiles for improved treatment outcomes over existing therapeutic approaches.
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Singh, Ruchita, Charles Brumlik, Mandar Vaidya, and Abhishek Choudhury. "A Patent Review on Nanotechnology-Based Nose-to-Brain Drug Delivery." Recent Patents on Nanotechnology 14, no. 3 (October 26, 2020): 174–92. http://dx.doi.org/10.2174/1872210514666200508121050.

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Background: Current cerebral drug delivery to the brain and Cerebrospinal Fluid (CSF) is limited by the Blood-Brain Barrier (BBB) or the blood-blood Cerebrospinal Fluid (CSF) barrier. The popular, non-invasive, intranasal delivery provides an exciting route for topical and systemic applications. For example, intranasal drug delivery of Central Nervous System (CNS) drugs can be designed to pass the BBB barrier via the nose-to-brain pathways. Recent nanotechnology research and patenting focus mainly on overcoming typical limitations including bioavailability, transport, BBB penetration, targeted delivery, controlled release rate and controlled degradation. Objective: The aim of the present study was to assess the state-of-the-art of nose-to-brain drug delivery systems and the role of nanotechnology in targeted delivery for the treatment of CNS and related therapeutic conditions. Methods: Patent and related searches were made with analytics to explore and organize nanotech work in intranasal drug delivery to the brain. Technical advancements were mapped by API, formulation and performance criteria. Patents and published patent applications were searched with concept tables of keywords, metadata (e.g., assignee) and patent classes (e.g., International Patent Classes and Cooperative Patent Classes). Results: The reviewed patents and published applications show a focus on formulations and therapeutic indications related to the nano-based nose-to-brain drug delivery. The main patented materials were surface modifiers, delivery systems and excipients. Conclusion: Surface modified nanoparticles can greatly improve drug transport and bioavailability of drugs, particularly higher molecular weight drugs. The most commonly used surface modifiers were chitosan, lectin and cyclodextrin-cross-linker complex. Nanoformulations of herbal drugs could increase drug bioavailability and reduce toxicity. Biotechnology-related drug delivery approaches such as monoclonal antibodies and genetically engineered proteins (molecular Trojan horses) deliver large molecule therapeutics.
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Dissertations / Theses on the topic "Molecule drug delivery"

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Moonschi, Faruk H. "APPLICATIONS OF CELL-DERIVED VESICLES: FROM SINGLE MOLECULE STUDIES TO DRUG DELIVERY." UKnowledge, 2018. https://uknowledge.uky.edu/chemistry_etds/98.

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Single molecule studies can provide information of biological molecules which otherwise is lost in ensemble studies. A wide variety of fluorescence-based techniques are utilized for single molecule studies. While these tools have been widely applied for imaging soluble proteins, single molecule studies of transmembrane proteins are much more complicated. A primary reason for this is that, unlike membrane proteins, soluble proteins can be easily isolated from the cellular environment. One approach to isolate membrane proteins into single molecule level involves a very low label expression of the protein in cells. However, cells generate background fluorescence leading to a very low signal to noise ratio. An alternative approach involves isolating membrane proteins in artificial membrane derived vesicles. This approach is limited to proteins which can be solubilized or stabilized in detergent solution. This intermediate step endangers the structural integrity of proteins with multiple subunits. Hence, we isolated transmembrane proteins into cell-derived vesicles which maintain the proteins in their physiological membrane without compromising their functional integrity. We studied the stoichiometric assembly of α3β4 nicotinic receptors which are pentameric receptor with possible stoichiometry of (α3)2(β4)3 and (α3)3(β4)2. We found that (α3)2(β4)3 is the predominant stoichiometry, and we have verified our finding with both single and double color experiments. We have also demonstrated that cell-derived vesicles can be utilized to study ligand receptor interactions. Cell-derived vesicles generated from cellular preparations provide a method to study the overall structural and functional properties of membrane proteins. However, organelle specific information is not available in this approach. Alternatively, separating vesicles based on their original organelle could provide information on the assembly and trafficking of membrane proteins. For example, it has been hypothesized that nicotine acts as a pharmacological chaperone of α4β2 nicotinic receptors and nicotine alters the assembly of the nicotinic receptors towards the high sensitivity isoform in the ER. To validate this hypothesis, we isolated α4β2 nicotinic receptors located on vesicles derived from the ER and plasma membrane origins and utilized single molecule studies to determine the stoichiometric assembly of the receptor. The data suggested that the ER has a higher percentage of the low sensitivity isoform ((α4)3(β2)2) than the plasma membrane indicating that the high sensitivity isoform trafficked more efficiently to the cell surface. When nicotine was added, the distribution of nicotinic receptors changes in those compartments. In both the ER and plasma membrane, the percentage of high sensitivity isoform was greater than the sample without the presence of nicotine. The results suggested that nicotine altered the assembly of nicotinic receptors to form the high sensitivity isoform in the ER and the altered assembly trafficked to the plasma membrane efficiently increasing the ratio of this isoform in the plasma membrane. The cell derived vesicles we utilized to isolate single receptors are structurally similar to liposomes, an FDA approved drug delivery system, which is spherical vesicles composed of at least one lipid bilayer. Hence, cell-derived vesicles possess potential to be utilized as drug delivery vehicles. I explored the applicability of cell-derived vesicles as general delivery vehicles to cultured cells. Additionally, we implanted xenografts into immune compromised nude mice and prepared cell derived vesicles labeled with dye molecules. The vesicles were injected in a mouse containing a xenograft to monitor whether these vesicles can reach to the xenograft. Our data suggested that cell-derived vesicles can successfully reach the xenograft and thus have potential to be utilized as a drug delivery vehicle.
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Lofton, Megan Christina. "Development of a small molecule drug delivery vehicle for treatment of chronic pulmonary diseases." Thesis, Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/24706.

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Feil, Florian, Anna Sauer, Jens Michaelis, Thomas Bein, and Christoph Bräuchle. "Single molecule diffusion studies of mesoporous materials: from material science to drug-delivery applications." Diffusion fundamentals 16 (2011) 28, S. 1-2, 2011. https://ul.qucosa.de/id/qucosa%3A13761.

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Crawford, Robert. "Single-molecule DNA sensors and cages for transcription factors in vitro and in vivo." Thesis, University of Oxford, 2011. http://ora.ox.ac.uk/objects/uuid:dc51a40b-4236-48ad-850e-e7e0010a823c.

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Gene regulation is vital to the success of all living organisms. Understanding this complex process is crucial to our knowledge of how cells function and how in some cases they can lead to debilitating or even fatal disease. In this thesis I focus on a set of DNA-binding proteins known as transcription factors (TFs), proteins fundamental to the process of gene regulation at the level of transcription. I develop assays and techniques for the detection and quantitation of TFs in vitro and in vivo as well as a method for TF encapsulation and release. The advantages of the TF detection assays in this thesis are made possible through the use of single-molecule (sm) fluorescence. This methodology enables detection of individually labeled molecules allowing discrimination of sample heterogeneities inaccessible with ensemble techniques. Here I present two different TF assays based on two sm observables: relative probe stoichiometry and Förster resonance energy transfer (FRET). The first assay design, based on stoichiometry, detects TFs using TF-dependent coincidence of two distinctly labelled DNA ‘half-sites’. I demonstrate sensitive detection (~ pM) in solution and on surfaces, multiplexed detection of multiple TFs, and detection in cell lysates. A kinetic model of the system is also developed, verified experimentally and used to quantify TF concentrations without the need for a calibration curve. The second assay design, based on FRET, is a novel approach to TF detection using TFmediated DNA bending. TFs are detected by bending the sensor and monitored with FRET at the single-molecule or ensemble level. I demonstrate TF detection in purifed form and expressed in cell lysates. As this sensor was designed for use in vivo, methods to hinder nuclease degradation are explored. For TF detection in vivo, I describe a successful strategy to internalise fluorescently labeled molecules into live E.coli. Viability and internalisation efficiency are characterised and ensemble measurements with FRET standards are demonstrated. Importantly, sm FRET measurements in vivo are achieved opening many exciting possibilities. The FRET based TF sensor is then internalised as a step towards real-time in vivo monitoring of TF concentrations. Finally a system based on DNA nanotechnology is presented for the non-covalent encapsulation and release of TFs. Such a system could be delivered into a cell to alter levels of gene expression using external stimuli as inputs. We believe these tools will generate valuable information in the study of prokaryotic gene expression as well as providing a potential commercial avenue towards diagnostics.
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Brumaru, Claudiu Stelian. "I. Hydrophobic nanoporous silica particles for biomedical applications. II. Novel approaches to two-dimensional correlation spectroscopy." Diss., University of Iowa, 2013. https://ir.uiowa.edu/etd/2446.

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Many highly effective drugs display serious side-effects. To limit them, one can contain the drug in tiny containers, which are subsequently delivered toward targets inside the body. The entrapment of drug molecules prevents them from coming in contact with and thus causing damage to normal cells. Inherently, it is difficult to reach 100% efficiency of drug trapping and release when employing physical caps to seal the vehicles. Instead, we propose drug trapping inside the nanopores of hydrophobic silica particles by "hydrophobic trapping". This phenomenon is associated with the repulsive "force field" generated inside nanometer-sized hydrophobic channels that completely prevents aqueous solutions from entering the channels. We demonstrate the excellent trapping efficiency using C18-modified silica particles with 10 nm pores and the anticancer drug doxorubicin. The major challenge in using hydrophobic particles in biological applications is their tendency to cluster in aqueous media. To overcome it, we use surfactants as solubilization means. We have developed protocols that effectively solubilize the outer surface of the particles while preventing surfactant micelles from entering nanopores. Consequently, particles become well-dispersible in aqueous solutions, with the pre-loaded drug safely contained inside nanopores. Nanomaterials exhibit heterogeneity on their surfaces that impact their functional applications. Although techniques such as atomic force microscopy are great tools for studying nanomaterials with their excellent spatial resolution, they cannot probe the inner surface of porous structures. We have established a method of single-molecule ratiometric imaging that is currently the only technique able to provide the nanopolarity of adsorption sites located on the pore surface. We analyze the polarity distribution of adsorptions events for the solvatochromic probe Nile Red at the C18/acetonitrile interface and discover at least two different populations of adsorption sites. One of them corresponds to the polarity of surface silanol groups while the other sites have a polarity consistent with the environment inside the C18 organic layer. We also discover an additional adsorption mode situated at a polarity higher than exposed silanol surface that could presumably be linked to a different ionization state of the silanol groups. We are developing a method for resolving spectra of complex samples using two-dimensional hetero-correlation spectroscopy by correlating the intensity fluctuations in optical spectra to those of completely separated peaks in analytical separations. We demonstrate this methodology for fluorescence spectra and electrophoregrams of mixtures anthracene-pyrene. All the individual vibronic features that overlap in mixtures are cleanly extracted in cross-sections of the two-dimensional asynchronous spectrum.
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Wang, Xiaoyang. "Design, Construction and Investigation of Synthetic Devices for Biological Systems." University of Cincinnati / OhioLINK, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1314041031.

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Deosarkar, Sudhir P. "Development of Novel Therapeutic and Diagnostic Approaches for Atherosclerosis." Ohio University / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1268371885.

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Dcona, Martin. "Drug Delivery Strategies Using Light Sensitive Molecules." VCU Scholars Compass, 2012. http://scholarscompass.vcu.edu/etd/445.

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Cancer remains one of the most dreaded diseases due to inevitable suffering and possible fatality. Only cardiac disease has caused more deaths than cancer. Present day cancer treatment involves radiation, surgery or chemotherapy. In chemotherapy, an anti-tumoral drug is used to treat the tumor either by killing or stalling the growth of the tumor cells. In certain types of cancer, for e.g. metastatic breast cancer, the first line of therapy is often chemotherapy. But the inability of current clinically approved drugs to selectively target tumor cells, ultimately results in side effects. To reduce these side effects, prodrug therapies have been developed. A prodrug is defined as a drug molecule inactivated by a temporary cap or carrier, subsequently removed by an external intra or extracellular stimulus. Several prodrug strategies such as ADEPT (Antibody–Directed Enzyme Prodrug Therapy) have been tested in clinical trials but have thus far met with limited success. In the wake of these limitations, development of photo-activatable prodrugs may be particularly desirable for minimizing the adverse side effects associated with current cancer chemotherapeutics. Photodynamic therapy (PDT) is a light dependent tumor treatment modality that has existed for many years. PDT involves a photosensitizer which is administered to the patient and later activated using the light of wavelengths between 650-800 nm. The activated photosensitizer creates singlet oxygen, which acts as cytotoxic agent to the tumor cells. But this approach has several drawbacks including slow uptake of the photosensitizer by the tumor cells and the dependence on molecular oxygen that is not always present at even moderate levels in the tumor tissues. To address these limitations of PDT, we developed a new prodrug concept called ‘Photocaged Permeability’ in our first project, and demonstrated drug delivery using this approach. The basis of this concept is that, by attaching a hydrophilic molecule to the drug via a photosensitive linker, the permeability of the drug could be restrained. But the drug could be released at the site of the tumor after irradiating with UV light. To achieve this goal, we designed and synthesized a photosensitive drug conjugate that was comprised of doxorubicin attached to a negatively charged, cell impermeable molecule, EDANS (5-((2-Aminoethyl) amino) naphthalein-1-sulfonic acid) via a photosensitive nitroveratryl linker. Later, we performed MTT (cell viability) assays using esophageal adenocarcinoma (JH-EsoAd1) cells to determine the efficiency of our drug conjugate to induce cell death. As expected our drug conjugate was able to induce cell death, but only in presence of light. But in the dark, the cells remained unaffected. Also, we did several control studies to substantiate the fact that the cell death was actually due to drug release but not due to light or other entities. Further, we performed FACS (Fluorescence Assisted Cell Sorting) and confocal assays to show that in dark, the drug conjugate did not permeate cells. But upon irradiation with UV light, the drug was released from the conjugate, permeated the cells and induced cell death. A weakness of the above mentioned approach is that the drug is “decaged” or photo-released from the conjugates only under UV light; which cannot be translated to physiological conditions. This is because the UV light cannot penetrate deeper than 5 mm into the human skin. As a result, tumor cells that are deeply embedded in the human body cannot be treated using these approaches. To address this problem, Near Infrared (NIR) light could be used as it penetrates deeper than UV. Recently, several groups have reported using Upconverting Nanoparticles (UCNP) for the purpose of drug activation. The basis of this phenomenon is that the incidence of NIR light on these particles initiates multi-photon processes, eventually emitting UV/VIS wavelengths. The advantage of the NIR is that it deeply penetrates into the human skin. In our latest project, we have designed a drug conjugate that would be attached to UCNPs. We envision that after grafting the drug conjugate onto the nanoparticles and irradiating it with NIR drug release will occur as a result of upconversion. The above two systems describes novel methodologies for controlled release of the drug. To further improve the efficacy of the drug action, we designed new photosensitive systems based on the concept of targeted drug delivery. Targeted drug delivery is a treatment methodology in which the modified chemotherapeutic drug with higher tumor affinity could be concentrated in the tumor tissues. In certain cases, the receptors of tumor cells are targeted for the purpose of therapy. Receptors are cell surface proteins that are expressed on their plasma membrane. A select few of them such as Folic Acid Receptor (FAR) and PSMA (Prostate Specific Membrane Antigen) are overexpressed in malignant cells. In our new designs, we attached folic acid and urea based (DUPA) ligand, which were previously reported to bind to FAR and PSMA receptors respectively. Cell studies are currently underway to determine the specificity of these drug conjugates in targeting tumor cells. Once we demonstrate the above drug delivery strategies in vitro and later in vivo, we will have established novel drug delivery systems that could potentially be applied towards chemotherapeutic treatment.
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Pan, Xiaogang. "Design and evaluation of lipid based delivery systems for delivery of small molecules and macro-molecular nucleotides based therapeutic agents." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1164679618.

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Cleroux, Carolyne. "Biodegradable nanoparticles for sustained occular drug delivery." Thesis, University of Ottawa (Canada), 2010. http://hdl.handle.net/10393/28485.

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Apoptosis (programmed cell-death) is a common final pathway through which cells die in retinal degenerative diseases. The purpose of this project was to develop biodegradable nanoparticles that quickly deliver XIAP, an inhibitor of apoptosis, to retinal cells following acute insults. In vitro protein release profiles from different formulations were established, and two cell types were incubated with nanoparticles to assess cellular uptake. Subretinal injections were carried out in rats to assess in vivo localization and possible toxicity. In vitro studies showed an initial burst of protein followed by sustained release, with overall low levels of protein release. Cell culture experiments suggest that particles are mostly membrane-bound, and some may be internalized. In vivo experiments revealed no signs of toxicity, and protein localized within the photoreceptor layer. In conclusion, nanoparticles may provide a good delivery system for XIAP; however higher levels of protein release are needed for neuroprotection, warranting further investigation.
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Books on the topic "Molecule drug delivery"

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Ouyang, Defang, and Sean C. Smith. Computational pharmaceutics: Application of molecular modeling in drug delivery. Chichester, West Sussex, United Kingdom: John Wiley & Sons Ltd., 2015.

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I, Mahato Ram, and Narang Ajit S, eds. Targeted delivery of small and macromolecular drugs. Boca Raton, FL: Taylor & Francis, 2010.

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Bernkop-Schnürch, Andreas. Oral delivery of macromolecular drugs: Barriers, strategies, and future trends. Dordrecht: Springer, 2009.

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Targeted cancer therapy: A handbook for nurses. Sudbury, MA: Jones and Bartlett, 2010.

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Pignataro, Bruno. Ideas in chemistry and molecular sciences: Where chemistry meets life. Weinheim: Wiley-VCH, 2010.

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Kim, Sang Geon. AMPK-S6K1 signaling pathway as a target for treating hepatic insulin resistance. Hauppauge, N.Y: Nova Science, 2009.

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Kim, Sang Geon. AMPK-S6K1 signaling pathway as a target for treating hepatic insulin resistance. New York: Nova Science Publishers, 2010.

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Mitochondrial medicine. New York: Humana Press, 2015.

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BOHARA. Molecular Insights Drug Delivery Syste. Institute of Physics Publishing, 2022.

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Douroumis, Dennis, Alfred Fahr, Juergen Siepmann, Defang Ouyang, and Sean C. Smith. Computational Pharmaceutics: Application of Molecular Modeling in Drug Delivery. Wiley & Sons, Incorporated, John, 2015.

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Book chapters on the topic "Molecule drug delivery"

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Kang, Lifeng, Han Hui Cheong, Sui Yung Chan, and Perry Fung Chye Lim. "Applications of Small-Molecule Gels - Drug Delivery." In Soft Fibrillar Materials, 115–28. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527648047.ch3.

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Parlar, Ayhan, Prabir Kumar Kulabhusan, Hasan Kurt, Büşra Gürel, Milad Torabfam, Başak Özata, and Meral Yüce. "Characterization of Biological Molecule—Loaded Nanostructures Using Circular Dichroism and Fourier Transform Infrared Spectroscopy." In Drug Delivery with Targeted Nanoparticles, 131–46. New York: Jenny Stanford Publishing, 2021. http://dx.doi.org/10.1201/9781003164739-6.

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Gupta, Madhu, Vikas Sharma, Durgesh Nandini Chauhan, Nagendra Singh Chauhan, Kamal Shah, and Ramesh K. Goyal. "Nanotechnological-Based Drug Delivery System for Magical Molecule Curcumin: Delivery, Possibilities and Challenges." In Novel Drug Delivery Systems for Phytoconstituents, 313–32. Boca Raton : Taylor & Francis, 2020. | “A CRC title, part of the Taylor & Francis imprint, a member of the Taylor & Francis Group, the academic division of T&F Informa plc.”: CRC Press, 2019. http://dx.doi.org/10.1201/9781351057639-16.

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Shimizu, Kosuke, and Naoto Oku. "Liposomes Conjugated with a Pilot Molecule." In Cancer Drug Delivery Systems Based on the Tumor Microenvironment, 187–216. Tokyo: Springer Japan, 2019. http://dx.doi.org/10.1007/978-4-431-56880-3_9.

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Ruiz-Sánchez, Pilar. "Vitamin B12: A Potential Targeting Molecule for Therapeutic Drug Delivery." In Ideas in Chemistry and Molecular Sciences, 93–115. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2010. http://dx.doi.org/10.1002/9783527630516.ch4.

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Wilkinson, Catherine, Marco N. De Canha, and Namrita Lall. "Nanoparticle-Stabilized Liposomes as an Effective Bio-Active Drug Molecule Delivery for Acne Treatment." In Medicinal Plants for Cosmetics, Health and Diseases, 61–78. Boca Raton: CRC Press, 2022. http://dx.doi.org/10.1201/9781003108375-4.

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Krise, Jeffrey P. "Intracellular Delivery and Disposition of Small-Molecular-Weight Drugs." In Drug Delivery, 103–30. Hoboken, NJ: John Wiley & Sons, Inc, 2016. http://dx.doi.org/10.1002/9781118833322.ch6.

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Lee, Juhee, and Jihee Kim. "Emerging Technologies in Scar Management: Laser-Assisted Delivery of Therapeutic Agents." In Textbook on Scar Management, 443–49. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-44766-3_50.

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AbstractTopical application of medications is difficult through intact skin due to physiological barrier of stratum corneum. Effective transdermal drug delivery system can offer distinct advantages over the topical application and oral administration of drugs. Laser systems have showed clinical benefits for patients in various types of scars for decades. In particular, the advent of fractional resurfacing advanced laser has enhanced the scar treatments dramatically. A fractional laser irradiates cells with high precision by controlling the area and degree of ablation through laser settings. In addition to local thermal destruction and stimulation, fractionated devices may also play an important role in drug delivery through the skin. Preclinical studies substantiate enhanced drug accumulation for a variety of topically applied drugs after ablative fractional laser therapy. Laser-assisted drug delivery is an evolving technology with potentially broad clinical applications. Multiple studies demonstrate that laser pretreatment of the skin can increase the permeability and depth of penetration of topically applied drug molecules. We discuss the mechanisms of laser-assisted drug delivery for scar treatment to enhance our understanding of this evolving technology and suggest optimal protocols of treatment.
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Han, Jingyan, Jena B. Goodman, and Mo Zhang. "Cardiovascular Drug Delivery." In Organelle and Molecular Targeting, 279–306. New York: CRC Press, 2021. http://dx.doi.org/10.1201/9781003092773-9.

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Eedara, Basanth Babu, Wafaa Alabsi, David Encinas-Basurto, Robin Polt, Don Hayes, Stephen M. Black, and Heidi M. Mansour. "Pulmonary Drug Delivery." In Organelle and Molecular Targeting, 227–78. New York: CRC Press, 2021. http://dx.doi.org/10.1201/9781003092773-8.

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Conference papers on the topic "Molecule drug delivery"

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Zheng, Zhuoyuan, Akash Singh, and Yumeng Li. "Molecular Dynamic Simulation Study on Soy Protein As Drug Delivery Vehicle." In ASME 2020 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2020. http://dx.doi.org/10.1115/imece2020-23590.

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Abstract Protein-based drug carriers are promising candidates for efficient drug delivery among the available potential colloidal carrier systems, due to their low cytotoxicity, abundance, renewability, diverse functional groups and interactions, and high drug loading capacity, etc. In this study, molecular dynamics (MD) simulations are performed to study the mechanisms of 11S molecule of soy protein as drug delivery vehicle to attach allyl isothiocyanate (AITC) and doxorubicin (DOX) drugs. The intermolecular interactions between protein and drugs are investigated; and the loading capacities of the protein molecules are calculated and compared with experiments. It is found that, for the AITC system, both nonpolar and polar residues of protein have the ability to adsorb AITCs; particularly, the polar residues serve as the primary active sites for the stable attachment of the drug molecules through the electrostatic (dipole-dipole) interactions. For the DOX system, however, the main driving force become the π-π stacking (the van der Waals interactions) among the aromatic rings of DOX and protein. In addition to pristine protein, different denaturation processes are found to be able to increase the exposure of active sites, therefore, enhance the loading efficiency of the protein carriers.
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Morales, Alma R., Ciceron O. Yanez, Takeo Urakami, Masanobu Komatsu, and Kevin D. Belfield. "Ex Vivo Two-Photon Fluorescence Tumor Vasculature Imaging: Small Molecule and Copolymer RGD Peptide Conjugates." In Optical Molecular Probes, Imaging and Drug Delivery. Washington, D.C.: OSA, 2013. http://dx.doi.org/10.1364/omp.2013.mw5c.2.

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El-Aklouk, E., A. M. Al-Jumaily, and S. Henry. "Feasibility of Delivering a Novel Synthetic Membrane Anchor to the Deep Lungs." In ASME 2008 International Mechanical Engineering Congress and Exposition. ASMEDC, 2008. http://dx.doi.org/10.1115/imece2008-67056.

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Over recent years, respiratory drug delivery research has broadened to include a wide range of potential applications such as delivering drugs not only into the lung but across it. This includes both current and novel therapies. Comprehensive characterisation of drug delivery to the lungs is a complex task involving the determination of delivered and deposited dose. The main aim of this research is to study the feasibility of nebulising a new novel synthetic molecule that spontaneously and stably incorporate into the lipid bi-layers including cell membranes to a size suitable for delivery to the deep lungs. An electronic inverted microscope is used to view the particles nebulised by a jet nebulizer. A high speed video camera is mounted onto the microscope to view the magnified (400x) particles as they fly at 500 frames per second. Extensive image analysis and particle detection algorithms show that the new synthetic membrane anchor can be nebulised to an appropriate size (3 to 12 microns) and hence can be used as a carrier of target specific medication to the lungs. This may include the delivery of cancer, pulmonary disease and inhalation damage drugs to specific sites where treatment is required. The molecule could also be used for diagnostic purposes as a site specific marker for a particular disease in the lungs.
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Chong, W. W. F., and M. Teodorescu. "Fast Converging Model for Load and Shear of Molecularly Thin Surface Films." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-87852.

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Predicting the contact load and the shear losses in a narrow conjunction separated by a molecularly thin fluid layer must account for a significant number of factors: the chemical composition of the fluid and solid boundaries, the length of molecular chains, the intermolecular forces, the concentration of different species of molecules in the mixture, molecule-to-surface adsorption and surface topography. The most commonly used solutions to this problem either neglect a significant part of the participating phenomena or are computationally expensive (e.g. molecular dynamics simulations). The current paper proposes a statistical mechanics model, which predicts the behavior of a molecularly thin film confined within a nano-scale conjunction. The advantage of this approach is that it is fast converging (semi-analytic) and all the aforementioned phenomena could be accounted for, within a single frame-work. The model is tested for an idealized bimolecular fluid and it was found that it can predict the influence of the packing fraction and the concentration ratio over the discontinuous discharge of fluid out of the a nano-scale conjunction. The main application is accurate prediction of the shear stress-induced losses in a nano-scale contact (e.g. between asperities on opposite sides of a tribological conjunction) and modern drug delivery techniques (e.g. transdermal drug delivery patches).
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Campbell, M., E. Chen, I. Goldfine, and J. Youngren. "Effective Locoregional Therapy with Small Molecule Tyrosine Kinase Inhibitors Employing In Situ Forming Drug Delivery Systems." In Abstracts: Thirty-Second Annual CTRC‐AACR San Antonio Breast Cancer Symposium‐‐ Dec 10‐13, 2009; San Antonio, TX. American Association for Cancer Research, 2009. http://dx.doi.org/10.1158/0008-5472.sabcs-09-6109.

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Min, Wei. "Seeing molecular vibrations: optical imaging of small molecules for biomedicine." In Optical Molecular Probes, Imaging and Drug Delivery. Washington, D.C.: OSA, 2015. http://dx.doi.org/10.1364/omp.2015.jw2b.3.

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Momeni, Kasra, and Aria Alasty. "Designing an Intelligent Controller for a Molecular Valve." In 2008 Second International Conference on Integration and Commercialization of Micro and Nanosystems. ASMEDC, 2008. http://dx.doi.org/10.1115/micronano2008-70257.

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Too much effort has been done for manipulating individual atoms, using nano-manipulators and Scanning Tunneling Microscopes (STM). On the other hand, characterization and manipulation of nano-flows is of great concern. In the current work a molecular valve has been considered, which is made up of six atoms placed on the circumstance of a circle. A fuzzy controller has been designed for controlling the diameter of this molecular valve. The designed fuzzy controller used singleton fuzzifier, Mamdani inference engine, center average defuzzifier and exponential membership functions. A model based on the classical Molecular Dynamics (MD) is used for modeling the nano-system and passing the states to the fuzzy controller. Then the fuzzy controller sets the actuators positions in order to control the diameter of the molecular valve. It has been shown that the designed controller can control the radius with an appropriate accuracy. Dimensionless equations of motion are used for designing the controller; therefore the designed controller is versatile and applicable to all the cases that the interactions between actuators and molecules can be modeled by Lennard-Jones potential. Using such a controller makes the molecular valve become applicable in the real world which has great applications such as drug delivery and controlling nano-flows with single molecule accuracy.
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Chen, Hsiu-hung Simon, Zhiquan Shu, Lei Cheng, and Dayong Gao. "Development of a Microfluidic Injection and Perfusion Device for Single Cell Study." In ASME 2010 First Global Congress on NanoEngineering for Medicine and Biology. ASMEDC, 2010. http://dx.doi.org/10.1115/nemb2010-13317.

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The cell membrane, composed primarily of proteins and lipids, is a selectively permeable lipid bilayer in the scale of 10 nm or so. Molecules permeating through cell membranes play critical roles in the applications of drug delivery, cell therapy, and cryopreservation. Cryopreservation and banking of cells, such as umbilical cord bloods, female eggs, etc., are critical to facilitate practical and effective in vitro fertilization (IVF). The determination of molecule transport properties of cells, such as water and cryoprotectants (CPAs), is indispensable for developing optimal conditions for cryopreserving them. On the other hand, injection of material of interests, such as sperms and DNA segments, to female eggs or blastocysts, so-called intracytoplasmic sperm injection (ICSI) technique, are playing important roles on IVF and advanced gene knock-out. In this study, a novel micro-nano-fluidic system that allows perfusion and injection in nano-liter scale has been developed and fabricated by soft lithographic methods. A single cell in the microfluidic system is able to be trapped on site and then either be perfused by various solutions or injected with plain solutions or solutions with genetic materials. Our ongoing study will demonstrate that the micro-nano-fluidic system allows us to: 1) confine cells in a channel; 2) deliver drugs by perfusing the cell; 3) monitor osmotic behaviors of the cell by replacing its extracellular environment; and 4) perform ICSI with sperms or genetic materials.
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Lee, Jae-Hwan, and Ramana M. Pidaparti. "An Implantable Device Design Concept for Ocular Drug Delivery." In ASME 2012 Summer Bioengineering Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/sbc2012-80176.

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New drugs for curing eye diseases have been developing for a decade and are very unique for each eye diseases such as glaucoma, cataracts, and age-related macular degeneration (AMD). It is estimated that 1.6 million adults in the US over the age of 50 and above suffer from age-related macular degeneration and about 200,000 cases are diagnosed annually. Worldwide, about 500,000 cases are diagnosed annually [1]. Drugs currently utilized for AMD are delivered via repeated intravitreal injections of the drug into the eye. Risks of repeated intravitreal injections can include intraocular infections (endophthalmitis), intraocular hemorrhage, and retinal detachment. Also, reducing the frequency of dosing will clearly benefit the patient by reducing the need for risky intravitreal injections and improving the pharmacokinetics of the drug in the eye. The eye disease of posterior segment (Dry and Wet) has limits to deliver the drug to retina region using typical eye drop. The drug injection using a needle with syringe can deliver but it barely provide right amount of doses, or over doses that may cause more severe problem such as swelling, fatigue, and damaging photoreceptor molecules. Furthermore, most drugs run away in a month so that repeated injection is necessary. Developing an implantable drug delivery device will help reduce the costs and risks associated with frequent injections and facilitate delivering the drug in a controlled manner and in the required amounts, and improve therapeutic efficacy and safety of drugs. This study focuses on the design, simulation and development of the implantable ocular drug delivery device.
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Adnan, Ashfaq, and Wing Kam Liu. "Electrostatic Self-Assembly of Functionalized Nanodiamonds and Their Binding Capacity With Doxorubicin Drugs." In ASME 2010 First Global Congress on NanoEngineering for Medicine and Biology. ASMEDC, 2010. http://dx.doi.org/10.1115/nemb2010-13164.

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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.
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