Use of strontium isotope ratios in geolocation of Guatemalan population: Potential role in identification of remains.

Within post-conflict communities, attempts to identify and repatriate unidentified and missing individuals poses a difficult task. As current forensic strategies commonly lack the capacity to provide region of origin assessments, forensic anthropologists/investigators are often unable to identify sources of DNA for kinship analysis. Using Thermal Ionization Mass Spectrometry (TIMS), hair samples from 10 volunteers were used to assess the variation in strontium isotope ratios ( Sr/ Sr) between extant people in Guatemala City and Coban; with a leach (external) and digest (dietary) signal analyzed for each sample.

A survey of case studies on the use of forensic three-dimensional printing in England and Wales.

3D printing has rapidly developed and been applied in forensic science due to its use in creating demonstrations for courts of law. Much of the literature on this specific topic has focused on the use of 3D printed models in academia, the potential influence on a jury, and its use as a long-term documentation process, but with few actual forensic case examples. This paper offers an insight into the development of 3D printing in forensic practice and how 3D printing is currently being used in the criminal justice system in England and Wales.

Using NMR to Dissect the Chemical Space and -Sulfation Effects within the - and -Glycoside Analogues of Heparan Sulfate.

Heparan sulfate (HS), a sulfated linear carbohydrate that decorates the cell surface and extracellular matrix, is ubiquitously distributed throughout the animal kingdom and represents a key regulator of biological processes and a largely untapped reservoir of potential therapeutic targets. The temporal and spatial variations in the HS structure underpin the concept of "heparanome" and a complex network of HS binding proteins. However, despite its widespread biological roles, the determination of direct structure-to-function correlations is impaired by HS chemical heterogeneity.

Accounting for Interaction Kinetics between Gold Nanoparticles and Aptamers Enables High-Performance Colorimetric Sensors.

DNA aptamers have emerged as promising probes for challenging analytes that cannot be easily detected by conventional probes, including small-molecule targets. Among the different signal transduction approaches, gold nanoparticle (AuNP) aggregation assays have been widely used to generate a colorimetric response from aptamer-target interactions. This sensor design relies on the competition between the aptamer adsorbing to the AuNP surface versus interacting with the target, whereby target binding reduces the number of adsorbed aptamers that destabilizes AuNPs toward salt-induced aggregation, thereby inducing a color change.

Breast calcification micromorphology classification.

Objectives: The importance of consistent terminology in describing the appearance of breast calcifications in mammography is well recognised. Imaging of calcifications using electron microscopy is a globally growing field of research. We therefore suggest that the time is ripe to develop a lexicon of terms for classifying the micromorphology of breast calcifications.

The NKT cell TCR repertoire can accommodate structural modifications to the lipid and orientation of the terminal carbohydrate of iGb3.

Isoglobotrihexosylceramide (iGb3) is a known NKT cell agonist, however the specific interactions required to trigger NKT cell TCR activation in response to this mammalian glycolipid are not fully understood. Here we report the synthesis of 1,3-β-Gal-LacCer (βG-iGb3) that displays a β-linked terminal sugar. βG-iGb3 activated NKT cells to a similar extent as iGb3 with a terminal α-linkage, indicating that the conformation of the terminal sugar residue of iGb3 is not essential to facilitate NKT cell TCR recognition.

In vitro and in vivo antimalarial activity and chemical profiling of sugarcane leaves.

Saccharum officinarum Linn. (sugarcane, Family-Poaceae) is employed in Ibibio traditional medicine for the treatment of various infections and diseases such as malaria. We This study aims to assess the antiplasmodial effect of the leaf extract and fractions on human malaria parasite (Plasmodium falciparum) in vitro, and rodent malaria parasite (P.

Carbon-chalcogen bond formation initiated by [Al(NON)(E)] anions containing Al-E{16} (E{16} = S, Se) multiple bonds.

Multiply-bonded main group metal compounds are of interest as a new class of reactive species able to activate and functionalize a wide range of substrates. The aluminium sulfido compound K[Al(NON)(S)] (NON = [O(SiMeNDipp)], Dipp = 2,6-PrCH), completing the series of [Al(NON)(E)] anions containing Al-E{16} multiple bonds (E{16} = O, S, Se, Te), was accessed desulfurisation of K[Al(NON)(S)] using triphenylphosphane. The crystal structure showed a tetrameric aggregate joined by multiple K⋯S and K⋯π(arene) interactions that were disrupted by the addition of 2.

The role of extracellular serotonin and MDMA in the sensitizing effects of MDMA.

MDMA is a non-selective monoamine releasing stimulant with potent serotonergic effects - a pharmacological effect not typically associated with drugs of misuse or efficacious reinforcers. Nonetheless, MDMA is misused by humans and self-administered by laboratory animals. We have previously shown that repeated exposure to MDMA sensitized both the locomotor activating and reinforcing effects of MDMA in rats.

Free charge photogeneration in a single component high photovoltaic efficiency organic semiconductor.

Organic photovoltaics (OPVs) promise cheap and flexible solar energy. Whereas light generates free charges in silicon photovoltaics, excitons are normally formed in organic semiconductors due to their low dielectric constants, and require molecular heterojunctions to split into charges. Recent record efficiency OPVs utilise the small molecule, Y6, and its analogues, which - unlike previous organic semiconductors - have low band-gaps and high dielectric constants.

Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states.

Valence electronic structure is crucial for understanding and predicting reactivity. Valence non-resonant X-ray photoelectron spectroscopy (NRXPS) provides a direct method for probing the overall valence electronic structure. However, it is often difficult to separate the varying contributions to NRXPS; for example, contributions of solutes in solvents or functional groups in complex molecules.

Investigating pair distribution function use in analysis of nanocrystalline hydroxyapatite and carbonate-substituted hydroxyapatite.

Hydroxyapatite (HA) is a complex material, which is often nanocrystalline when found within a biological setting. This work has directly compared the structural characteristics derived from data collected using a conventional laboratory-based X-ray diffractometer with those collected from a dedicated pair distribution function (PDF) beamline at Diamond Light Source. In particular, the application of PDF analysis methods to carbonated HA is evaluated.

The photophysical properties of naphthalene bridged disilanes.

Structural isomers of naphthalene-bridged disilanes were prepared catalytic intramolecular dehydrocoupling of disilyl precursors using Wilkinson's catalyst. Interestingly, it was observed that interchanging the side groups on the silicon atoms altered the photophysical properties of the bridged disilanes. Herein, we report the first example of naphthalene bridged disilanes forming excimers in non-polar solvents.

Unraveling the binding mode of a methamphetamine aptamer: A spectroscopic and calorimetric study.

Nucleic-acid aptamers are bio-molecular recognition agents that bind to their targets with high specificity and affinity and hold promise in a range of biosensor and therapeutic applications. In the case of small-molecule targets, their small size and limited number of functional groups constitute challenges for their detection by aptamer-based biosensors because bio-recognition events may both be weak and produce poorly transduced signals. The binding affinity is principally used to characterize aptamer-ligand interactions; however, a structural understanding of bio-recognition is arguably more valuable in order to design a strong response in biosensor applications.

and X-ray Diffraction and Small-Angle X-ray Scattering Investigations of the Sol-Gel Synthesis of FeN and FeC.

Iron nitride (FeN) and iron carbide (FeC) nanoparticles can be prepared via sol-gel synthesis. While sol-gel methods are simple, it can be difficult to control the crystalline composition, , to achieve a Rietveld-pure product. In a previous synchrotron study of the sol-gel synthesis of FeN/FeC, we showed that the reaction proceeds as follows: FeO → FeO → FeN → FeC.

Extending chain growth beyond C → C in CO homologation: aluminyl promoted formation of the [CO] ligand.

(NON)Al-K(TMEDA) (NON = [O(SiMeNDipp)], Dipp = 2,6-PrCH), containing an Al-K bond, activates and reductively couples cabon monoxide gas to form the [CO] ligand. This oxocarbon anion is thermally isomerised in the presence of CO and TMEDA. In contrast, the dimeric potassium aluminyl [K{Al(NON)}] yields an aluminium complex containing the hitherto unknown [CO] ligand.

A multi-million image Serial Femtosecond Crystallography dataset collected at the European XFEL.

Serial femtosecond crystallography is a rapidly developing method for determining the structure of biomolecules for samples which have proven challenging with conventional X-ray crystallography, such as for membrane proteins and microcrystals, or for time-resolved studies. The European XFEL, the first high repetition rate hard X-ray free electron laser, provides the ability to record diffraction data at more than an order of magnitude faster than previously achievable, putting increased demand on sample delivery and data processing. This work describes a publicly available serial femtosecond crystallography dataset collected at the SPB/SFX instrument at the European XFEL.

Lipophilic glucose monoesters and glycosides are potent human Mincle agonists.

Macrophage inducible C-type lectin (Mincle) is a pattern recognition receptor on myeloid cells that represents a promising target for Th1-stimulating adjuvants. We report on the synthesis of branched and aromatic glucose monoesters and glycosides and their activation of mouse and human Mincle. In studies using mMincle, derivatives containing aromatic groups in the 6--acyl chain were poor Mincle agonists, while analogues with branched lipophilic groups at the glucose 6-position and anomeric hydroxy or methoxy groups exhibited better Mincle-mediated agonist activity than compounds with a docosyl group at the anomeric position.

An application example of the likelihood ratio approach to the evaluation of organic gunshot residues using a fictional scenario and recently published data.

The analysis of gunshot residues (GSR) can provide important information with regard to the involvement of a person of interest (POI) in a firearm-related incident. Organic gunshot residues (OGSR) have been investigated in order to provide additional and complementary information to the traditional inorganic gunshot residue (IGSR) particles detected by scanning electron microscopy (SEM). Currently, many procedures and analytical methods have been developed to detect OGSR-related compounds collected from the shooter's hands.

A multi-modal exploration of heterogeneous physico-chemical properties of DCIS breast microcalcifications.

Ductal carcinoma (DCIS) is frequently associated with breast calcification. This study combines multiple analytical techniques to investigate the heterogeneity of these calcifications at the micrometre scale. X-ray diffraction, scanning electron microscopy and Raman and Fourier-transform infrared spectroscopy were used to determine the physicochemical and crystallographic properties of type II breast calcifications located in formalin fixed paraffin embedded DCIS breast tissue samples.

Extracting quantitative dielectric properties from pump-probe spectroscopy.

Optical pump-probe spectroscopy is a powerful tool for the study of non-equilibrium electronic dynamics and finds wide applications across a range of fields, from physics and chemistry to material science and biology. However, a shortcoming of conventional pump-probe spectroscopy is that photoinduced changes in transmission, reflection and scattering can simultaneously contribute to the measured differential spectra, leading to ambiguities in assigning the origin of spectral signatures and ruling out quantitative interpretation of the spectra. Ideally, these methods would measure the underlying dielectric function (or the complex refractive index) which would then directly provide quantitative information on the transient excited state dynamics free of these ambiguities.

Comparison of dynamic corrections to the quasistatic polarizability and optical properties of small spheroidal particles.

The optical properties of small spheroidal metallic nanoparticles can be simply studied within the quasistatic/electrostatic approximation, but this is limited to particles much smaller than the wavelength. A number of approaches have been proposed to extend the range of validity of this simple approximation to a range of sizes more relevant to applications in plasmonics, where resonances play a key role. The most common approach, called the modified long-wavelength approximation, is based on physical considerations of the dynamic depolarization field inside the spheroid, but alternative empirical expressions have also been proposed, presenting better accuracy.

Effect of Soil Type: Qualitative and Quantitative Analysis of Phytochemicals in Some Browse Species Leaves Found in Savannah Biome of South Africa.

In semi-arid regions, browse plant species are used as feed and for medicinal purposes for both animals and humans. The limitation of the utilization of these species to medicinal purposes or as feed for livestock is a lack of knowledge on the concentration level of phytochemicals and other bioactive compounds found in these plants. The study sought to assay the qualitative and quantitative bioactive constituents of some browse species found in the savannah biome of South Africa, viz.

Oxidase enzymes as sustainable oxidation catalysts.

Oxidation is one of the most important processes used by the chemical industry. However, many of the methods that are used pose significant sustainability and environmental issues. Biocatalytic oxidation offers an alternative to these methods, with a now significant enzymatic oxidation toolbox on offer to chemists.

Marine natural products.

Covering: 2020This review covers the literature published in 2020 for marine natural products (MNPs), with 757 citations (747 for the period January to December 2020) referring to compounds isolated from marine microorganisms and phytoplankton, green, brown and red algae, sponges, cnidarians, bryozoans, molluscs, tunicates, echinoderms, mangroves and other intertidal plants and microorganisms. The emphasis is on new compounds (1407 in 420 papers for 2020), together with the relevant biological activities, source organisms and country of origin. Pertinent reviews, biosynthetic studies, first syntheses, and syntheses that led to the revision of structures or stereochemistries, have been included.