Molecular dynamics simulation of a model oligomer for poly(N-isopropylamide) in water

Molecular dynamics (MD) has been used to simulate a dilute aqueous solution of a 50-units oligomer model for the thermoresponsive polymer poly(N-isopropylacrylamide) at 300 and 310 K, i.e., below and above its lower critical solution temperature (LCST) in water. Statistical analyses of the system trajectories show that at 310 K the oligomer exhibits a more compact conformation than at 300 K, in qualitative agreement with experiments, and that it is surrounded by a smaller number of first-hydrationshell water molecules

Breast cancer: a randomized controlled trial assessing the effect of a decision aid on mammography screening uptake: study protocol

IntroductionBreast cancer (BC) is the primary cancer among women. The World Health Organization recommends a bilateral screening mammogram every 2 years for women aged 50 to 74 years. However, it has been shown that there is an absence of information about the benefits and risks of screening. Shared medical decision-making is important to ensure patients are involved in the decision process. Decision aids can facilitative this decision-making process. This article presents a protocol to evaluate the effect of a decision aid on participation rates in the French organized BC screening program.Methods and analysisDesign and setting. The design is a 2 arm randomized controlled study, performed in the Pays de la Loire region (French West Coast). Randomization will be based on general medicine practices (Primary Care).ParticipantsWomen aged between 50 and 74 years, eligible for BC screening. In this region, there are 75000 women, and 2800 general practitioners eligible for recruitment.InterventionIn the « Decision aid for organized cancer screening » arm, the intervention will distribute invitation letters to eligible women combined with the provision of decision aid to these women and their general practitioners and an incentive to implement shared medical decision-making. In the « Standard organized cancer screening » arm, only the screening invitation will be sent to eligible women.Primary endpointBC screening participation rates will be assessed after an 18-month follow-up period.Statistical analysisIn this non-inferiority trial, the percentage of women who are up-to-date with their screening at 18 months after the intervention will be compared across arms using a generalized mixed linear model.DiscussionThe research team expect to demonstrate that providing a better explanation of the benefits and risks of BC screening is not at odds with screening participation. The study results should help policy makers thinking about implementing shared medical decision-making within the framework of organized BC screening programs in the future.Ethics and disseminationOn 6 December 2021, the protocol received a favorable opinion from the French Committee for the Protection of Persons (2021-A01583-38). This study is registered with ClinicalTrials.gov, number NCT05607849. (Version 1, November 7, 2022; https://www.clinicaltrials.gov/ct2/show/NCT05607849). The study findings will be used for publication in peer-reviewed scientific journals and presentations in scientific meetings

Analytical study of waterlogged ivory from the Bajo de la campana site (Murcia, Spain)

[EN] This work reports an analytical study conducted prior to the conservation intervention of a collection of elephant tusks excavated from a wreck site of a 600-500 BC Phoenician trading vessel in Bajo de la campana (Murcia, Spain). The conservation state of ivory, determined by prolongated immersion in a marine environment, was established by a multi-technique methodology: light microscopy, field emission scanning electron microscopy X-ray microanalysis (FESEM-EDX), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), spectrophotometry and gas chromatography-mass spectrometry (GC-MS). The analyses demonstrated that the structure and composition of both tusk parts, namely the inner ivory and outer cementum, were altered due to characteristic diagenetic processes of a marine environment. Ca enrichment was observed in both tusk parts, which gave higher Ca/P molar ratio values than for ideal hydroxyapatite. Mg leaching was observed, together with uptake of exogenous elements (F, Cl, Si, Al, S, Na, Fe, Cu, Sr, Pb, Sn, Ag, V, Ni, Cd and Zn), which were prevalently identified in the external tusk part. Uptake of S and Fe was associated with the neoformation of pyrite framboids. The high carbonate content measured by FTIR, which agreed with the higher Ca/P ratios found in the archaeological tusk, was ascribed to the carbonate substitution of phosphate groups (type-B) in the bioapatite accompanied by some authigenic calcium carbonate that infilled ivory. An increased degree of crystallinity was observed when comparing the values of several crystallinity indices found in the archaeological bioapatite with those of a modern tusk, used as the reference material. Increased crystallinity prevalently took place in the cementurn. In accordance with increased crystallinity, the HPO42- content index indicated that the hydrated layer of bioapatite nanocrystals diminished in the archaeological tusk, and prevalently in the cementum. All these changes correlated with the significant organic matter loss reported for the archaeological tusk. Interestingly, remaining collagenous matter noticeably altered with enrichment in glycine and depletion in acid amino acids. Changes in the secondary structure of proteins were also recognised and associated with collagen gelatinisation. In addition to proteinaceous materials, small amounts of long-chain fatty acids, monoglycerides and cholesteryl oleate were identified by GC-MS. Cholesteryl oleate was associated with blood, which could have precipitated at the time of specimen death. The identification of large amounts of pyrite framboids and the high oleic acid/palmitic acid ratio in the archaeological tusk suggested minimal oxidative degradation processes, probably due to the slightly anoxic conditions of the underwater Bajo de la campana site environment. (C) 2016 Elsevier B.V. All rights reserved.The authors wish to thank CITES Espana and Direccion General de Bienes Culturales y Ensenanzas Artisticas, de la Consejeria de Educacion, Cultura y Universidades de la Comunidad Autonoma de la Region de Murcia, Museo Nacional de Arqueologia Subacuatica. Financial support is gratefully acknowledged from Spanish "I + D + I MINECO" projects CTQ2011-28079-CO3-01 and 02 and CTQ2014-53736-C3-1-P supported by ERDEF funds. The authors also wish to thank Mr. Manuel Planes and Dr. Jose Luis Moya, technical supervisors of the Electron Microscopy Service of the Universitat Politecnica de Valencia.Domenech Carbo, MT.; Buendía Ortuño, MDM.; Pasies Oviedo, T.; Osete Cortina, L. (2016). Analytical study of waterlogged ivory from the Bajo de la campana site (Murcia, Spain). Microchemical Journal. 126:381-405. https://doi.org/10.1016/j.microc.2015.12.022S38140512

Recueil général des arrêts du Conseil d'état : comprenant les arrêtés, décrets, arrêts et ordonnances rendus en matière contentieuse, depuis l'an 8 jusqu'à 1839 : avec des annotations ... et une table analytique et alphabétique /

"Il existe duex autres recueils des arrêts du Conseil d'État. Le premier, de m. Sirey, sous le titre de Jurisprunce du Conseil d'État, comprend les arrêts rendus depuis le mois de juillet 1806 jusqu'au mois d'avril 1821 ... le duexiéme, celui de m. Marcel et de ses successeurs ... continué ... par m. Lebon ... comprend , sous le titre de Recueil des arrêts de Conseil dÉtat, les arrêts rendus depuis le 1er janvier 1821 jusqu'au 1er janvier 1839 ..."--Pref., v. 1.Includes index."Pub. sous les auspices de M. Macarel ... et de M. Sirey."Mode of access: Internet

Vibrational Circular Dichroism in the Near Infrared: instrumental development and applications

Near infrared vibrational circular dichroism spectra in the region of 1300 to 800 nm were recorded for 12 enantiomeric pairs of molecules with a home-made dispersive apparatus. With respect to earlier measurements, a better signal-to-noise ratio was obtained, thus allowing a more precise determination of molecular parameters. A detailed examination of the spectra between 1300 and 1100 nm allowed us to correlate the data of the different molecules, based on local properties of given molecular moieties. The relevance of this correlationin configurational and/or conformational studies is discussed

The use of motor imagery training to retain the performance improvement following physical practice in the elderly

International audienceWith physiological aging, appears a deterioration of the ability to retain motor skills newly acquired. In this study, we tested the beneficial role of motor imagery training to compensate this deterioration. We tested four groups: young control group (n=10), elderly control group (n=10), young mental-training group (n=13) and elderly mental-training group (n=13). In pre- and post-tests, the participants performed three trials on a dexterity manual task (the Nine Hole Peg Test), commonly used in clinic. We recorded the movement duration as a factor of performance. Each trial, including 36 arm movements, consisted in manipulating sticks as fast as possible. The control groups watched a non-emotional documentary for 30min and the mental-training groups imagined the task (50 trials). First, we observed a speed improvement during the pre-test session for all groups. Immediately after viewing the movie (post-test 1), the young control group showed a preservation of motor performance in comparison to the performance measured before the break (pret-test 3), while the young mental-training group improved performance after motor imagery practice. For the elderly, the control group showed a deterioration of motor performance at post-test 1, attesting a deterioration of the ability to retain motor skills with aging. Interestingly, the elderly mental-training group showed a preservation of motor performance between the pre-test 3 and the post-test 1. The present findings demonstrate the beneficial role of mental training with motor imagery to retain the performance improvement following physical practice in the elderly. This method could be an alternative to prevent the deterioration of motor skills

An operative approach to correct CD spectra distortions due to absorption flattening

We discuss the influence of absorption flattening (AF) on CD spectra, aiming at finding a simple way to compensate the induced distortions. A simple algebraic formalism is proposed based on an unconventional measuring approach, which makes use of a commercial unit. Validation of the proposed compensation method for AF is conducted not only on the already studied CD Vis spectral region of a Co chiral complex with the use of an AF emulator, but also on the far UV CD spectra of poly-L-glutamic acid suspensions with different turbidity levels. Comparison with some correction factors proposed in the literature is presented