Are Protein Conformational Ensembles in Agreement with Experimental Data? A Geometrical Interpretation of the Problem.

The conformational variability of biological macromolecules can play an important role in their biological function. Therefore, understanding conformational variability is expected to be key for predicting the behavior of a particular molecule in the context of organism-wide studies. Several experimental methods have been developed and deployed for accessing this information, and computational methods are continuously updated for the profitable integration of different experimental sources. The outcome of this endeavor is conformational ensembles, which may vary significantly in properties and composition when different ensemble reconstruction methods are used, and this raises the issue of comparing the predicted ensembles against experimental data. In this article, we discuss a geometrical formulation to provide a framework for understanding the agreement of an ensemble prediction to the experimental observations.

Preliminary Ultrasonographic Study of Healthy California Sea Lion (Zalophus californianus) Pregnancy and Fetal Development.

Reproductive success is an important aspect of marine mammals' population health, as it is an indicator of the trajectory for the population into the future. The aim of this study is to provide additional relevant data on fetus-maternal ultrasonographic monitoring in sea lion species, in order to evaluate possible fetal distress or abnormalities. From 2018 to 2023, serial ultrasonographic scans of two healthy California sea lion females (16 ± 4 years old), kept under human care, were performed over the course of two pregnancies for each female. Animals were monitored from the ovulation to the delivery. Ultrasonography was performed weekly, and, during the last month, daily images were recorded using Logiq Versana Active, General Electric, with a 2-5 MHz curvilinear transducer, and Logiq V2, General Electric, with a 2-5 MHz curvilinear transducer. Right and left lateral recumbencies have been used during the examination. To the author's knowledge, this is the first study describing in detail the sea lion organogenesis and their correlation with the stage of pregnancy.

Sensitivity considerations on denoising series of spectra by singular value decomposition.

When acquiring series of spectra ( T 1 , T 2 , CP buildup curves, etc.) on samples with poor SNR, we are usually faced with choosing between taking a few points with a large number of scans to maximize the SNR or more points with a smaller number of scans to maximize the information content. In this Letter, we show how low-rank decomposition can be used to denoise a series of spectra, reducing the trade-off between the number of scans and the number of experiments.

The evolution of paramagnetic NMR as a tool in structural biology.

Paramagnetic NMR data contain extremely accurate long-range information on metalloprotein structures and, when used in the frame of integrative structural biology approaches, they allow for the retrieval of structural details to a resolution that is not achievable using other techniques. Paramagnetic data thus represent an extremely powerful tool to refine protein models in solution, especially when coupled to X-ray or cryoelectron microscopy data, to monitor the formation of complexes and determine the relative arrangements of their components, and to highlight the presence of conformational heterogeneity. More recently, theoretical and computational advancements in quantum chemical calculations of paramagnetic NMR observables are progressively opening new routes in structural biology, because they allow for the determination of the structure within the coordination sphere of the metal center, thus acting as a loupe on sites that are difficult to observe but very important for protein function.

Plasmodium matutinum Causing Avian Malaria in Lovebirds (Agapornis roseicollis) Hosted in an Italian Zoo.

Avian malaria is a worldwide distributed, vector-born disease of birds caused by parasites of the order Haemosporida. There is a lack of knowledge about the presence and pathogenetic role of Haemosporida in Psittacidae. Here we report a case of avian malaria infection in lovebirds (Agapornis roseicollis), with the genetic characterization of the Plasmodium species involved. The birds were hosted in a zoo located in Italy, where avian malaria cases in African penguins (Spheniscus demersus) were already reported. Animals (n = 11) were submitted for necropsy after sudden death and were subjected to further analyses including histopathology, bacteriology, and PCR for the research of haemosporidians. Clinical history, gross lesions and histopathological observation of schizonts, together with positive PCR results for Plasmodium spp., demonstrated that avian malaria was the cause of death for one animal and the possible cause of death for the other nine. The sequences obtained were compared using BLAST and analyzed for similarity to sequences available at the MalAvi database. Genetic analyses demonstrated a 100% nucleotide identity to Plasmodium matutinum LINN1 for all the obtained sequences. To our knowledge, this is the first report describing avian malaria in lovebirds.

Hand-Rearing of Three Lesser Flamingo Chicks (Phoeniconaias minor).

There are few published studies regarding lesser flamingo (Phoeniconaias minor) reproduction, crop milk composition, and hand-rearing under human care. Between the end of June and the beginning of August of 2017, three eggs were laid in a group of 29 lesser flamingos kept under human care. Two eggs and one chick were abandoned by the parents, and three chicks were hand-reared. This report describes diet composition, dietary intake, feeding protocols, and growth index, from the first day to 60 days after hatching, for three lesser flamingo chicks.

Pregnancy and Fetal Development: Cephalic Presentation and Other Descriptive Ultrasonographic Findings from Clinically Healthy Bottlenose Dolphins (Tursiops truncatus) under Human Care.

Ultrasonography is widely used in veterinary medicine for the diagnosis of pregnancy, and can also be used to monitor abnormal pregnancies, embryonic resorption, or fetal abortion. Ultrasonography plays an important role in modern-day cetacean preventative medicine because it is a non-invasive technique, it is safe for both patient and operator, and it can be performed routinely using trained responses that enable medical procedures. Reproductive success is an important aspect of dolphin population health, as it is an indicator of the future trajectory of the population. The aim of this study is to provide additional relevant data on feto-maternal ultrasonographic monitoring in bottlenose dolphin (Tursiops truncatus) species, for both the clinicians and for in situ population studies. From 2009 to 2019, serial ultrasonographic exams of 11 healthy bottlenose dolphin females kept under human care were evaluated over the course of 16 pregnancies. A total of 192 ultrasound exams were included in the study. For the first time, the sonographic findings of the bottlenose dolphin organogenesis and their correlation with the stage of pregnancy are described. Furthermore, this is the first report that forecasts the cephalic presentation of the calf at birth, according to its position within the uterus.