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On-Scene Body Assessment
Published in Kevin L. Erskine, Erica J. Armstrong, Water-Related Death Investigation, 2021
Kevin l. Erskine, Erica J. Armstrong
One of several ways to identify an unidentified decedent is via fingerprint examination. Sources for fingerprint comparison include antemortem prints from arrest records, military service files, and some governmental files. To aid in a positive identification of the body, it will be necessary to obtain fingerprints. Generally, this is conducted at the C/ME’s office by law enforcement after hand examination and autopsy procedures have been completed, especially in violent or suspicious deaths, including water-related deaths, where the hands will likely have been bagged at the scene. This may also be conducted in forensic laboratories whereby the hand, portions of fingers, or the skin of fingers have been submitted separately.
Quality Control of Ayurvedic Medicines
Published in D. Suresh Kumar, Ayurveda in the New Millennium, 2020
V. Remya, Maggie Jo Alex, Alex Thomas
A chromatographic fingerprint of herbal medicine is a pattern representing the chemical characteristics of its ingredients. This pattern is obtained by analyzing chromatographically the pharmacologically active or characteristic chemical constituents in the preparation (Xie 2001; Ong 2002). The chromatographic profile should represent the herbal medicine being studied and should facilitate the identification of similarity or differences between several such profiles. Thus, fingerprints can successfully reveal both “sameness” and “difference” between various samples. Herbal medicines can be accurately authenticated and identified even if the number and/or concentration of chemically characteristic constituents are not very similar in different samples of the medicine. Therefore, fingerprints can be handy tools to evaluate the quality of herbal medicines globally, considering the totality of the known and unknown constituents occurring in them (Montoro et al. 2012). T.L.C., high-performance thin-layer chromatography (H.P.T.L.C.), gas chromatography (G.C.) and high-performance liquid chromatography (H.P.L.C.) methods are commonly used for the development of chromatographic fingerprints of herbal medicines (Fan et al. 2006).
An Approach to Inherited Pulmonary Disease
Published in Stephen D. Litwin, Genetic Determinants of Pulmonary Disease, 2020
One well-studied phenotype determined by polygenic inheritance is fingerprint ridge count. The skin of the fingerprints has ridges which are arranged in patterns. These patterns have characteristic landmarks, and the dermal ridges which transect a line connecting two landmarks can be counted. Each fingertip thus has a ridge count, and each individual has a total or ridge counts from all fingertips. Total ridge count can vary from 0 to about 300. The frequency distribution of individuals with various ridge counts forms a bell-shaped curve approximating the Gaussian distribution. Since total ridge count is an integral number, this variable is discontinuous in contrast to height which can have any value. But the total ridge count can have many values near one another. Bell-shaped distributions such as this could conceivably result from the action of a large number of alleles at one locus. That this is not the case in total ridge count has been demonstrated by the study of sibships. The hypothesis of multiple alleles at a single locus predicts that the two parents can have no more than four alleles at that locus, two in each parent. Thus in the offspring no more than four different genotypes are possible and in the phenotypes of siblings up to four discrete classes are expected. Study of total ridge counts in sibships shows bell-shaped distributions like that found in the general population, and not discrete classes.
Computational representations of protein–ligand interfaces for structure-based virtual screening
Published in Expert Opinion on Drug Discovery, 2021
Tong Qin, Zihao Zhu, Xiang Simon Wang, Jie Xia, Song Wu
There are many limitations in the above-mentioned fingerprints; for example, some interactions such as cation-π interactions may not be precisely labeled but simply defined as contacts [56]. To this end, the Kireev group introduced a three-dimensional structure-based protein–ligand interaction fingerprint (SPLIF) [56]. For each protein–ligand atom pair, both the ligand and protein atom are extended to corresponding circular fragments of the atom within a certain distance. Each type of circular fragment is assigned with an identifier, for which Extended Connectivity Fingerprints (ECFP2) are used. The SPLIF is constructed by retrieving the three-dimensional coordinates of all atoms related to fragments and setting the respective fingerprint bit ‘on.’ With the explicit coding of ligand and protein fragments, the SPLIF implicitly takes all types of interactions into account, for example, two parallel aromatic fragments imply a π–π interaction. By applying the SPLIF to post-docking analysis for Mer kinase inhibitors, the Kireev group identified 15 hits from 62 experimentally tested compounds [57]. Inspired by the SPLIF, the Pande group developed a grid featurizer that can robustly encode interactions within a protein–ligand complex into intra-ligand/intra-protein ECFPs, protein–ligand SPLIF fingerprints, and the number of salt bridges or hydrogen bonds [23,27]. The interacting atom pairs in various distances are encoded by the distance bins of 0–2 Å, 2–3 Å, and 3–4.5 Å. Also, the salt bridges and the hydrogen bonds are enumerated within the three distance bins.
Personalized approaches to bronchiectasis
Published in Expert Review of Respiratory Medicine, 2021
Rosa Maria Girón Moreno, Adrián Martínez-Vergara, Miguel Ángel Martínez-García
Nevertheless, these clinical phenotypes fail to come close to capturing the complexity and heterogeneity of bronchiectasis. An innovative holistic vision of bronchiectasis would contemplate it from the perspective of all its dimensions – its severity, activity, and impact on the patient – and gather all the aspects that affect a human being when faced with the disease. The graphic expression of these dimensions through ‘control panels’ and fingerprints can be very useful, by capturing at a single glance the characteristics of bronchiectasis and its impact on the patient and enhancing the homogenization of patients and our understanding of their disease. The variables included in these dimensions are easy to collect in routine clinical practice; perhaps the greatest complexity lies in the quality-of-life questionnaires such as the BHQ and LCQ, due to the time required to fill them in, but they can be replaced by the CAT, which has recently been validated for bronchiectasis. Another promising idea is a computer program that would take all the variables involved in the disease and provide a fingerprint directly linked to a patient’s medical history. This fingerprint could be modified annually or after the implementation of any new treatment or the start of a clinical trial.
Development of a cheminformatics platform for selectivity analyses of carbonic anhydrase inhibitors
Published in Journal of Enzyme Inhibition and Medicinal Chemistry, 2020
Giulio Poli, Salvatore Galati, Adriano Martinelli, Claudiu T. Supuran, Tiziano Tuccinardi
The generation of ligand fingerprints and the calculation of the Tanimoto similarity index were performed using the pybel module of OpenBabel software16. All fingerprints were generated starting from the SMILES strings of the analyzed ligands. Four different fingerprint types available in OpenBabel were used: FP2, FP3, FP4 and MACCS fingerprints. FP2 is a path-based fingerprint that indexes ligand fragments based on linear segments of 1–7 atoms, while FP3, FP4 and MACCS fingerprints are based on different sets of SMARTS patterns, which are used to index ligand fragments. The Tanimoto similarity index (Ti) was calculated between pairs of ligand fingerprints as previously reported17, based on the following equation: