Exhaustive design and screening of novel antipsychotic compounds with improved pharmacodynamics and blood-brain barrier permeation properties.

Antipsychotic drugs or neuroleptics are widely used in the treatment of psychosis as a manifestation of schizophrenia and bipolar disorder. However, their effectiveness largely depends on the blood-brain barrier (BBB) permeation (pharmacokinetics) and drug-receptor pharmacodynamics. Therefore, in this study, we developed and implemented the pipeline to design novel compounds (n = 260) as leads using the standard drug scaffolds with improved PK/PD properties from the standard scaffolds.

Distribution, sources and ecological risk assessment of polycyclic aromatic hydrocarbons in waters and sediments from Olt River dam reservoirs in Romania.

This study provides important data on the distribution, sources and ecological risks of polycyclic aromatic hydrocarbons (PAHs), in surface waters and sediments collected from dam reservoirs on middle and lower course of the Olt River, the main tributary of the Danube, until the discharge into the Black Sea. A wide variation range of total PAHs concentrations in water (from 1.3 to 46.

Accumulation and ecotoxicological risk assessment of heavy metals in surface sediments of the Olt River, Romania.

Heavy metal pollution of river freshwater environments currently raises significant concerns due to the toxic effects and the fact that heavy metal behavior is not fully understood. This study assessed the contamination level of eight heavy metals and trace elements (Cr, Ni, Cu, Zn, As, Pb, Cd, and Hg) in the surface sediments of 19 sites in 2018 during four periods (March, May, June, and October) in Olt River sediments. Multivariate statistical techniques were used, namely, one-way ANOVA, person product-moment correlation analysis, principal component analysis, hierarchical cluster analysis, and sediment quality indicators such as the contamination factor and pollution load index.

Recent Progresses in Stable Isotope Analysis of Cellulose Extracted from Tree Rings.

In this work, the challenges and progression in stable isotope investigation, from the analytical tools and technical sample preparation procedures to the dendroclimatological experiments, were reviewed in terms of their use to assess tree physiological responses to environmental changes. Since the isotope signature of whole wood is not always a reliable tool in studying the climate changes, cellulose is often preferred as the study material in paleoclimatic studies. Nevertheless, the isotope analysis of cellulose is challenging due to the difficulty to remove the other wood components (extractives, lignin, pectin, and hemicelluloses).

Chemical Composition and Assessment of Antimicrobial Activity of Lavender Essential Oil and Some By-Products.

The producers of essential oils from the Republic of Moldova care about the quality of their products and at the same time, try to capitalize on the waste from processing. The purpose of the present study was to analyze the chemical composition of lavender ( L.) essential oil and some by-products derived from its production (residual water, residual herbs), as well as to assess their "in vitro" antimicrobial activity.

Profiling of Phenolic Compounds and Triterpene Acids of Twelve Apple ( Borkh.) Cultivars.

Apple ( Borkh.), a popular and widely cultivated fruit world-wide, contains bioactive compounds responsible for their health benefits. Here we report the amounts of some bioactive compounds: two major triterpenes (oleanolic and ursolic acids) and polyphenols (phenolic acids, flavan-3-ols, flavonoids and t-resveratrol), together with bioactive properties of twelve apple cultivars measured by chromatographic and spectrophotometric methods.

Comparison of the Polyphenolic Profile of . and . Sprouts in Different Germination Stages Using the UHPLC-Q Exactive Hybrid Quadrupole Orbitrap High-Resolution Mass Spectrometry.

Identification and quantification of polyphenols in plant material are of great interest since they make a significant contribution to its total bioactivity. In the present study, an UPLC-Orbitrap-MS/MS approach using the variable data acquisition mode (DIA) was developed and applied for rapid separation, identification, and quantification of the main polyphenolic compounds in . and .

Amino Acid Profile of Fruits as Potential Fingerprints of Varietal Origin.

This study aims to assess the capability of the H-NMR profiling of fruits from different genera in combination with multivariate data analysis to provide feasible information for fruit juices' authenticity in terms of botanical origin. Nine fruit varieties from four genera were selected for the experimental plan. The juice obtained from the fruits was characterized using the H-NMR technique, selecting the obtained amino acid profile of fruits as a potential specific fingerprint.

Establishing authenticity of honey via comprehensive Romanian honey analysis.

Assessing the authenticity of honey is a serious problem that has gained much interest internationally because honey has frequently been subject to various fraudulent practices, including mislabelling of botanical and geographical origin and mixing with sugar syrups or honey of lower quality. To protect the health of consumers and avoid competition, which could create an unstable market, consumers, beekeepers and regulatory bodies are interested in having reliable analytical methodologies to detect non-compliant honey. This paper gives an overview of the different approaches used to assess the authenticity of honey, specifically by the application of advanced instrumental techniques, including spectrometric, spectroscopic and chromatographic methods coupled with chemometric interpretation of the data.

Phenolic compounds profile and biochemical properties of honeys in relationship to the honey floral sources.

Introduction: Honey has been considered to have therapeutic properties since ancient times and among the factors responsible for such activity are phenolic compounds including phenolic acids and flavonoids from different natural sources.

Objective: This study investigated the phenolic compounds profile and bioactive properties of different honey types from Romanian flora in order to develop reliable tools for honey floral origin, thus contributing to the honey traceability in the European Union context.

Material And Methods: Thirty-three honey samples were examined, including unifloral (acacia and rape), polyfloral, honeydew honeys and mixture honeys.

¹H-NMR Profiling and Carbon Isotope Discrimination as Tools for the Comparative Assessment of Walnut ( L.) Cultivars with Various Geographical and Genetic Origins-A Preliminary Study.

：The aim of the study was to investigate the differences between walnut genotypes of various geographical and genetic origins grown under the same or different environmental conditions. The biological material analyzed consisted in walnut kernels of 34 cultivars, nine advanced selections, and six hybrids harvested in 2015 and 2016, summing up to a total of 64 samples. The walnuts, walnut oil, and residue were characterized in respect to their chemical (proximate composition-fat, protein, nutritional value, fatty acids profile by ¹H-NMR) and carbon-13 isotopic composition.

Antioxidant activity and antibacterial evaluation of new thiazolin-4-one derivatives as potential tryptophanyl-tRNA synthetase inhibitors.

The rapid emergence of bacterial resistance to antibiotics currently available for treating infectious diseases requires effective antimicrobial agents with new structural profiles and mechanisms of action. Twenty-three thiazolin-4-one derivatives were evaluated for their antibacterial activity by determining the growth inhibition zone diameter, the minimum inhibitory concentration (MIC), and the minimum bactericidal concentration (MBC), against gram-positive and gram-negative bacteria. Compounds 3a-c, 3e-h, 6b-c and 9a-c expressed better MIC values than moxifloxacin, against Staphylococcus aureus.

Efficient removal of Indigo Carmine dye by a separation process.

This study is aimed at developing an innovative approach for Indigo Carmine dye removal from synthetic solutions by electrodialysis, carried out using ion exchange membranes. The batch electrodialysis system was operated at various current intensities: 0.05, 0.