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Analytical Chemistry Jan 2017
Review
Topics: Analytic Sample Preparation Methods; Animals; Chemistry Techniques, Analytical; Glycoproteins; Humans
PubMed: 28105826
DOI: 10.1021/acs.analchem.6b04343 -
International Journal of Pharmaceutics Feb 2020Interest in orodispersible films (ODF) is growing day-by-day, since this dosage form overcomes some therapeutic obstacles, such as impaired swallowing, and offers... (Review)
Review
Interest in orodispersible films (ODF) is growing day-by-day, since this dosage form overcomes some therapeutic obstacles, such as impaired swallowing, and offers several benefits, such as the possibility to adapt the dosing requirements for a subset of patients. As a consequence, technologies to produce ODF have risen attention for possible applications in the development of patient-centric formulations. This review critically discusses current trends in the technology platforms proposed to manufacture ODF, including the innovation and opportunities to produce very small batches in a pharmacy setting. Although the main Pharmacopoeias recommend testing customized dosage forms for quality assurance, pharmaceutical assays are a matter of debate due to the complexity and high cost of conventional methods. Alternatively, non-disruptive online analytic methods can be proposed to assay ODF properties, above all to assure the uniformity of drug content.
Topics: Administration, Oral; Animals; Chemistry, Pharmaceutical; Dosage Forms; Drug Compounding; Drug Delivery Systems; Humans; Pharmaceutical Preparations
PubMed: 31857185
DOI: 10.1016/j.ijpharm.2019.118963 -
International Journal of Molecular... Sep 2020The root bark of has long been appreciated as an antiphlogistic, diuretic and expectorant drug in Chinese herbal medicine, albeit with barely known targets and... (Review)
Review
The root bark of has long been appreciated as an antiphlogistic, diuretic and expectorant drug in Chinese herbal medicine, albeit with barely known targets and mechanisms of action. In the 1970s, the development of analytic chemistry allowed for the discovery of morusin as one of 7 different isoprene flavonoid derivatives in the root bark of . However, the remarkable antioxidant capacity of morusin with the unexpected potential for health benefits over the other flavonoid derivatives has recently sparked scientific interest in the biochemical identification of target proteins and signaling pathways and further clinical relevance. In this review, we discuss recent advances in the understanding of the functional roles of morusin in multiple biological processes such as inflammation, apoptosis, metabolism and autophagy. We also highlight recent in vivo and in vitro evidence on the clinical potential of morusin treatment for multiple human pathologies including inflammatory diseases, neurological disorders, diabetes, cancer and the underlying mechanisms.
Topics: Antioxidants; Apoptosis; Autophagy; Butadienes; Flavonoids; Hemiterpenes; Humans; Inflammation; Morus; Plant Bark; Plant Extracts; Plant Roots; Signal Transduction; Stress, Physiological
PubMed: 32906784
DOI: 10.3390/ijms21186541 -
Journal of Molecular Modeling Mar 2023MNDO-based semi-empirical methods in quantum chemistry have found widespread application in the modelling of large and complex systems. A method for the analytic...
CONCEPT
MNDO-based semi-empirical methods in quantum chemistry have found widespread application in the modelling of large and complex systems. A method for the analytic evaluation of first and second derivatives of molecular properties against semi-empirical parameters in MNDO-based NDDO-descendant models is presented, and the resultant parameter Hessian is compared against the approximant currently used in parameterization for the PMx models.
METHODS
As a proof of concept, the exact parameter Hessian is employed in a limited reparameterization of MNDO for the elements C, H, N, O and F using 1206 molecules for reference data (heats of formation, ionization energies, dipole moments and reference geometries). The correctness of our MNDO implementation was verified by comparing the calculated molecular properties with the MOPAC program.
PubMed: 36977949
DOI: 10.1007/s00894-023-05499-3 -
Environmental Health and Toxicology 2015This study presents the indicators and proxy variables for the quantitative assessment of green chemistry technologies and evaluates the relative importance of each...
OBJECTIVES
This study presents the indicators and proxy variables for the quantitative assessment of green chemistry technologies and evaluates the relative importance of each assessment element by consulting experts from the fields of ecology, chemistry, safety, and public health.
METHODS
The results collected were subjected to an analytic hierarchy process to obtain the weights of the indicators and the proxy variables.
RESULTS
These weights may prove useful in avoiding having to resort to qualitative means in absence of weights between indicators when integrating the results of quantitative assessment by indicator.
CONCLUSIONS
This study points to the limitations of current quantitative assessment techniques for green chemistry technologies and seeks to present the future direction for quantitative assessment of green chemistry technologies.
PubMed: 26206364
DOI: 10.5620/eht.s2015003 -
Analytical Chemistry Nov 2022A major obstacle for reusing and integrating existing data is finding the data that is most relevant in a given context. The primary metadata resource is the scientific...
A major obstacle for reusing and integrating existing data is finding the data that is most relevant in a given context. The primary metadata resource is the scientific literature describing the experiments that produced the data. To stimulate the development of natural language processing methods for extracting this information from articles, we have manually annotated 100 recent open access publications in Analytical Chemistry as semantic graphs. We focused on articles mentioning mass spectrometry in their experimental sections, as we are particularly interested in the topic, which is also within the domain of several ontologies and controlled vocabularies. The resulting gold standard dataset is publicly available and directly applicable to validating automated methods for retrieving this metadata from the literature. In the process, we also made a number of observations on the structure and description of experiments and open access publication in this journal.
Topics: Semantics; Natural Language Processing; Research Design; Chemistry, Analytic
PubMed: 36281827
DOI: 10.1021/acs.analchem.2c03565 -
Clinical Cancer Research : An Official... Oct 2008The role of biomarkers in drug discovery and development has gained precedence over the years. As biomarkers become integrated into drug development and clinical trials,... (Review)
Review
The role of biomarkers in drug discovery and development has gained precedence over the years. As biomarkers become integrated into drug development and clinical trials, quality assurance and, in particular, assay validation become essential with the need to establish standardized guidelines for analytic methods used in biomarker measurements. New biomarkers can revolutionize both the development and use of therapeutics but are contingent on the establishment of a concrete validation process that addresses technology integration and method validation as well as regulatory pathways for efficient biomarker development. This perspective focuses on the general principles of the biomarker validation process with an emphasis on assay validation and the collaborative efforts undertaken by various sectors to promote the standardization of this procedure for efficient biomarker development.
Topics: Animals; Antineoplastic Agents; Biomarkers; Biomarkers, Pharmacological; Biomarkers, Tumor; Chemistry, Pharmaceutical; Drug Design; Drug Evaluation, Preclinical; Genome, Human; Genomics; Humans; Medical Oncology; Mice; Neoplasms; Treatment Outcome
PubMed: 18829475
DOI: 10.1158/1078-0432.CCR-07-4535 -
The American Journal of Clinical... Jul 2011Folic acid (FA) fortification of food created the need to determine whether fortification elevated concentrations of unmetabolized FA in plasma and whether this form of... (Review)
Review
BACKGROUND
Folic acid (FA) fortification of food created the need to determine whether fortification elevated concentrations of unmetabolized FA in plasma and whether this form of the vitamin in blood is associated with adverse health outcomes.
OBJECTIVE
The objective of this research was to devise a simple, rapid method for the measurement of unmetabolized plasma FA in epidemiologic studies.
DESIGN
We previously used the affinity/HPLC with electrochemical detection method to measure folate distribution in human plasma and red blood cells (RBCs). We modified this method with the inclusion of synthetic ethyltetrahydrofolate as an internal standard and with the use of 2 affinity columns connected in parallel to the analytic column through a switching valve to allow one column to be loaded while the other column was eluted into the analytic column.
RESULTS
We identified FA and 5-methyltetrahydrofolate (5-mTHF) by retention time and characteristic response across the channels of the electrochemical detector. Limits of detection were 0.034 pmol for 5-mTHF and 0.027 pmol for FA per injection, and the recovery was 92.2% (5-mTHF) and 98.9% (FA). CVs for samples were 8.1% (within day) and 6.8% (between day) for 5-mTHF and 3.2% (within day) and 5.9% (between day) for FA. Total folate with the use of this method correlated highly (r(2) = 0.98, P < 0.001) with values from the microbial assay. The run time for the method was 30 min per sample. Researchers can use this method with longer run times to measure the distribution of folate forms in RBCs.
CONCLUSION
This updated method allows efficient analysis of folate forms in human plasma and tissues without the loss of sensitivity or precision.
Topics: Chromatography, Affinity; Chromatography, High Pressure Liquid; Electrochemical Techniques; Erythrocytes; Folic Acid; Humans; Microbiological Techniques; Tetrahydrofolates
PubMed: 21593489
DOI: 10.3945/ajcn.111.013433 -
Journal of Diabetes Science and... May 2009The attraction of the simple biochemical concept combined with a clinical requirement for a long-term marker of glycolic control in diabetes has made hemoglobin A1c... (Review)
Review
The attraction of the simple biochemical concept combined with a clinical requirement for a long-term marker of glycolic control in diabetes has made hemoglobin A1c (HbA1c) one of the most important assays undertaken in the medical laboratory. The diversity in the biochemistry of glycation, clinical requirements, and management demands has resulted in a broad range of methods being developed since HbA1c was described in the late 1960s. A range of analytic principles are used for the measurement of HbA1c. The charge difference between hemoglobin A0 and HbA1c has been widely utilized to separate these two fractions, most notably found these days in ion-exchange high-performance liquid chromatography systems; the difference in molecular structure (affinity chromatography and immunochemical methods) are becoming widely available. Different results found in different laboratories using a variety of HbA1c analyses resulted in the need for standardization, most notably in the United States, Japan, and Sweden. Designated comparison methods are now located in these three countries, but as they are arbitrarily chosen and have differences in specificity, results of these methods and the reference values and action limits of the methods differ and only harmonized HbA1c in specific geographic areas. A reference measurement system within the concept of metrological traceability is now globally accepted as the only valid analytic anchor. However, there is still discussion over the units to be reported. The consensus statement of the International Federation of Clinical Chemistry (IFCC), the American Diabetes Association, the International Diabetes Federation, and the European Association for the Study of Diabetes suggests reporting HbA1c in IFCC units (mmol/mol), National Glycohemoglobin Standardization Program units (%), and estimated average glucose (either in mg/dl or mmol/liter). The implementation of this consensus statement raised new questions, to be answered in a concerted action of clinicians, biochemists, external quality assessment organizers, patient groups, and manufacturers.
Topics: Chromatography, Affinity; Chromatography, High Pressure Liquid; Glycated Hemoglobin; Humans; Immunochemistry; Japan; Reference Standards; Reproducibility of Results; Sweden; United States
PubMed: 20144280
DOI: 10.1177/193229680900300306 -
Environmental Health Perspectives Jan 1994With substantial improvements in analytic techniques over the past decade, it has become possible to measure polychlorinated dioxins (PCDDs) and dibenzofurans (PCDFs) in... (Review)
Review
With substantial improvements in analytic techniques over the past decade, it has become possible to measure polychlorinated dioxins (PCDDs) and dibenzofurans (PCDFs) in human tissue in a congener-specific fashion down to the low parts per trillion level. This paper reviews findings using these new techniques from a number of recent medical and environmental case studies. These studies include those of workers exposed to a polychlorinated biphenyl (PCB) transformer fire in the United States, German chemical workers exposed to 2,3,7,8-tetrachlorodibenzodioxin (2,3,7,8-TCDD) while cleaning up after an explosion, workers at a municipal incinerator in New York City, a chemist exposed to brominated and chlorinated dioxins, U.S. veterans and also Vietnamese civilians exposed to Agent Orange contaminated with TCDD in Vietnam, and victims of the polychlorinated dibenzofuran and PCB contaminated rice oil (Yusho) incident in Japan.
Topics: Adipose Tissue; Adult; Benzofurans; Environmental Exposure; Female; Humans; Japan; Male; Milk, Human; New York; Occupational Exposure; Polychlorinated Dibenzodioxins; Vietnam
PubMed: 8187703
DOI: 10.1289/ehp.94102s1135