Chemometric-based drug discovery approaches from natural origins using hyphenated chromatographic techniques.

Introduction: Isolation and characterization of bioactive components from complex matrices of marine or terrestrial biological origins are the most challenging issues for natural product chemists. Biochemometric is a new potential scope in natural product analytical science, and it is a methodology to find the compound's correlation to their bioactivity with the help of hyphenated chromatographic techniques and chemometric tools.

Objectives: The present review aims to evaluate the application of chemometric tools coupled to chromatographic techniques for drug discovery from natural resources.

Clinical and genetic spectrum of glycogen storage disease in Iranian population using targeted gene sequencing.

Glycogen storage diseases (GSDs) are known as complex disorders with overlapping manifestations. These features also preclude a specific clinical diagnosis, requiring more accurate paraclinical tests. To evaluate the patients with particular diagnosis features characterizing GSD, an observational retrospective case study was designed by performing a targeted gene sequencing (TGS) for accurate subtyping.

Evaluation of adulteration in distillate samples of Rosa damascena Mill using colorimetric sensor arrays, chemometric tools and dispersive liquid-liquid microextraction-GC-MS.

Introduction: Rosa damascena Mill distillate and its essential oil are widely used in cosmetics, perfumes and food industries. Therefore, the methods of detection for its authentication is an important issue.

Objectives: We suggest colorimetric sensor array and chemometric methods to discriminate natural Rosa distillate from synthetic adulterates.

Quantitative structure-activity relationship to predict the anti-malarial activity in a set of new imidazolopiperazines based on artificial neural networks.

Background: After years of efforts on the control of malaria, it remains as a most deadly infectious disease. A major problem for the available anti-malarial drugs is the occurrence of drug resistance in Plasmodium. Developing of new compounds or modification of existing anti-malarial drugs is an effective approach to face this challenge.

Evaluation of long-heating kinetic process of edible oils using ATR-FTIR and chemometrics tools.

Long thermal oxidative kinetic and stability of four different edible oils (colza, corn, frying, sunflower) from various brands were surveyed with the use of attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) combined with multivariate curve resolution-alternative least square (MCR-ALS). Sampling from the heated oils (at 170 °C) was performed each 3 h during a 36-h period. Changes in the ATR-FTIR spectra of the oil samples in the range of 4000-550 cm were followed as a function of heating time.

Classification of Edible Oils Based on ATR-FTIR Spectral Information During a Long Heating Treatment.

Identification of oil type and its QC are important concerns in food control laboratories. Classifying edible oils that have not been used (i.e.