Dental Macrowear Reveals Ecological Diversity of Gorilla Spp.

Size and shape variation of molar crowns in primates plays an important role in understanding how species adapted to their environment. Gorillas are commonly considered to be folivorous primates because they possess sharp cusped molars which are adapted to process fibrous leafy foods. However, the proportion of fruit in their diet can vary significantly depending on their habitats. While tooth morphology can tell us what a tooth is capable of processing, tooth wear can help us to understand how teeth have been used during mastication. The objective of this study is to explore if differences in diet at the subspecies level can be detected by the analysis of molar macrowear. We analysed a large sample of second lower molars of Grauer’s, mountain and western lowland gorilla by combining the Occlusal Fingerprint Analysis method with other dental measurements. We found that Grauer’s and western lowland gorillas are characterised by a macrowear pattern indicating a larger intake of fruit in their diet, while mountain gorilla’s macrowear is associated with the consumption of more folivorous foods. We also found that the consumption of herbaceous foods is generally associated with an increase in dentine and enamel wear, confirming the results of previous studies.

Chemical Fingerprint Analysis and Quantitative Analysis of Saccharides in Morindae Officinalis Radix by HPLC-ELSD

A method based on high performance liquid chromatography with evaporative light scattering detection (HPLC-ELSD) was developed for the quantitative analysis of three active compounds and chemical fingerprint analyses of saccharides in Morindae officinalis radix. Ten batches of Morindae officinalis radix were collected from different plantations in the Guangdong region of China and used to establish the fingerprint. The samples were separated with a COSMOIL Sugar-D column (4.6 mm × 250 mm, 5 μm) by using gradient elution with water (A) and acetonitrile (B). In addition, Trapped-Ion-Mobility (tims) Time-Of-Flight (tims TOF) was used to identify saccharides of Morindae officinalis radix. Fingerprint chromatogram presented 26 common characteristic peaks in the roots of Morinda officinalis How, and the similarities were more than 0.926. In quantitative analysis, the three compounds showed good regression (r = 0.9995–0.9998) within the test ranges, and the recoveries of the method were in the range of 96.7–101.7%. The contents of sucrose, kestose and nystose in all samples were determined as 1.21–7.92%, 1.02–3.37%, and 2.38–6.55%, respectively. The developed HPLC fingerprint method is reliable and was validated for the quality control and identification of Morindae officinalis radix and can be successfully used to assess the quality of Morindae officinalis radix.

Probing the Metabolic Landscape of Plant Vascular Bundles by Infrared Fingerprint Analysis, Imaging and Mass Spectrometry

Fingerprint analysis is a common technique in forensic and criminal investigations. Similar techniques exist in the field of infrared spectroscopy to identify biomolecules according to their characteristic spectral fingerprint features. These unique markers are located in a wavenumber range from 1800 to 600 cm−1 in the mid infrared region. Here, a novel bioanalytical concept of correlating these spectral features with corresponding mass spectrometry datasets to unravel metabolic clusters within complex plant tissues was applied. As proof of concept, vascular bundles of oilseed rape (Brassica napus) were investigated, one of the most important and widely cultivated temperate zone oilseed crops. The link between mass spectrometry data and spectral data identified features that co-aligned within both datasets. Regions of origin were then detected by searching for these features in hyperspectral images of plant tissues. This approach, based on co-alignment and co-localization, finally enabled the detection of eight distinct metabolic clusters, reflecting functional and structural arrangements within the vascular bundle. The proposed analytical concept may assist future synergistic research approaches and may lead to biotechnological innovations with regard to crop yield and sustainability.

X-ray spectral diagnostics of the local environment of zinc in the arachidic acid layers

The article describes the behaviour of the Zn ions in aqueous subphase in presence of arachidic acid films at the air/liquid interface first studied by XANES spectroscopy in the fluorescent mode under total external reflection conditions. Fingerprint analysis of experimental spectra was carried out to determine the local structure of zinc ions in arachidic acid. It showed that zinc is surrounded by oxygen atoms, which may correspond to the interaction of zinc ions with polar groups of arachidic acid.

Analisis Sidik Jari Kromatografi Lapis Tipis Tanaman Anting-Anting (Acalypha indica L.)

Anting-anting plant (Acalypha indica L.) is a plant that the community has used as raw material for herbal medicine. Anting-anting plants contain chemical compounds, so it is difficult to ensure these plants' safety and quality control. The research objective was to validate the method by knowing the stability, specificity, precision, and rigidity of the chromatographic profile of alkaloid compounds in the TLC analysis of the anting-anting extract. Extraction was carried out using ethyl acetate solvent for 20 minutes with a frequency of 42 kHz. The eluent used is cyclohexane: toluene: diethylamine (75:15:10) with Dragendorff reagent. The method of validation was acceptable according to the criteria except for the stability test of the analyte during chromatography. The instability of the analyte is indicated that not all spots form a straight diagonal line. The specificity of the method was carried out by comparing the fingerprint patterns of the leaves of the anting-anting with ekor kucing (Acalypha hibsida Farm.) and teh-tehan plants (Acalypha siamensis). The fingerprint profile showed a yellow stain (Rf = 0.39) on the leaves of the anting-anting, which did not appear in the fingerprint profiles of the two comparison samples. Keywords: anting-anting, fingerprint analysis, thin layer chromatography, method validation Anting-anting (Acalypha indica L.) merupakan tanaman yang telah dimanfaatkan masyarakat sebagai bahan baku obat herbal. Anting-anting mengandung banyak senyawa kimia sehingga sulit menjamin keamanan dan pengendalian mutu dari tanaman tersebut. Penelitian ini dilakukan untuk validasi metode dengan mengetahui kestabilan, spesifitas, presisi, dan ketegaran profil kromatografi senyawa alkaloid pada analisis KLT ekstrak anting-anting. Ekstraksi dilakukan menggunakan pelarut etil asetat selama 20 menit dengan frekuensi 42 kHz. Eluen yang digunakan adalah sikloheksana : toluena : dietilamin (75:15:10) dengan reagen Dragendorff. Validasi metode dapat diterima sesuai kriteria kecuali uji stabilitas analit selama kromatografi. Ketidakstabilan analit ditunjukkan dengan seluruh noda yang dihasilkan tidak membentuk garis diagonal yang lurus. Spesifitas pada metode dilakukan dengan membandingkan pola sidik jari daun anting-anting dengan daun ekor kucing (Acalypha hibsida Farm) dan daun teh-tehan (Acalypha siamensis). Profil sidik jari menunjukkan bahwa terdapat noda berwarna kuning kehijauan (Rf = 0,39) pada daun anting-anting yang tidak muncul pada profil sidik jari kedua sampel pembanding tersebut. Kata kunci: anting-anting, analisis sidik jari, kromatografi lapis tipis, validasi metode

Design of Novel Selective Estrogen Receptor Inhibitors using Molecular Docking and Protein-Ligand Interaction Fingerprint Studies

Aims: The genomic and non-genomic actions of human estrogen receptor α (hERα) play a crucial role in breast epithelial cell proliferation and survival, as well as mammary tumorigenesis. hERα has been proved as a potential target for breast cancer therapy over the last 3 decades. Hence designing novel inhibitors targeting hERα can be a valuable approach in breast cancer therapy. Study Design: In the present study, the goal is to identify novel hERα inhibitors through molecular docking, AI based virtual screening and interaction fingerprint analysis. Place and Duration of Study: Department of Bioinformatics, Sri Venkateswara Institute of Medical Sciences, Tirupati, Andhra Pradesh, India in between July 2021-sep 2021. Methodology: Molecular docking studies were performed using the human estrogen receptor alpha ligand-binding domain in complex with 4-hydroxytamoxifen (PDB: 3ERT) against existing compounds from literature. The best docked existing compound and co-crystal ligand were subjected to shape screening against 28 million compounds and resulted compounds constituted the hERα inhibitor dataset which was subjected to rigid receptor docking. Further, interaction fingerprint analysis was applied as complimentary method to docking for comparing the similarity of predicted binding poses of proposed leads with that of reference binding pose. Results: Co-crystal ligand (4-OHT) and E99 exhibited better binding affinity among existing ligand set. Rigid receptor docking studies resulted in four lead compounds possessing better docking scores than 4-OHT and E99. Moreover, leads showed favorable absorption, distribution, metabolism, excretion and toxicity properties within the range of 95% FDA approved drugs. Proposed leads showed interactions with binding site residues of hERα similar to that of 4-OHT with better binding affinity. The ability of obtained leads to retrieve actives was validated using receiver operative characteristic (ROC) curve. Conclusion: From above results, it has been observed that the proposed leads have potential to act as novel hERα inhibitors.