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Docking of Glycokinase w.th Oxo, Sulfo, and Seleno Derivatives of the carboxamide Activator S41

crystal Structure Theory and Applications 2020年第2期9卷 22-35页

作者： Glodi M. Ndefi Albert S. Lundemba Dikima D. Bibelayi Jason T. Kilembe Eliakim M. Kambale céline w. kadima Zéphyrin G. Yav Department of chemistry University of Kinshasa Kinshasa Democratic Republic of Congo Department of chemistry State University of New York at Oswego Oswego USA

Inactivation of Glucokinase (GK) is associated w.th diabetes. Therefore, design of drugs targeting the GK activator site is currently integrated in the?strategy of the diabetes treatment.?The present w.rk investigated the affinity of 30 ligands to GK based on molecular docking using the Gold 5.6 program. Glucokinase’s structure w.s derived from the Protein Data Bank (PDB code?3S41), w.ile the ligands w.re seleno, sulfo and oxo derivatives of the co-crystallized?carboxamide activator (PDB code:?S41). The results of the ligand-protein docking?revealed that GK formed thermodynamically stable complexes w.th all ligands. The main forces stabilizing the complexes are lipophilic interactions, enhanced by hydrogen bonds. Ligand molecular areas responsible for lipophilic and hydrogen bonding contacts w.th amino acid residues in the allosteric site of GK w.re evidenced by molecular electrostatic potentials (MEPs). Interestingly,?tw.lve of the S41 derivatives interacted w.th GK more strongly than the co-crystallized activator, w.ile maintaining the lipophilic contacts w.th key amino acid residues like Arg63, w.ich are catalytically crucial for?therapeutic properties of GK activators (GKAs).?It is notew.rthy that divalent Se and S atoms w.re also involved in chalcogen bonds in the GKA site. Those bonds w.re nearly linear like hydrogen bonds. Such bond directionality should guide the design of pharmacophoric ligands containing chalcogen atoms.

关键词： Glucokinase carboxamide Derivatives GOLD 5.6 Binding Energy Molecular Electrostatic Potential (MEP)

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A global analysis of the introduction pathw.ys and characteristics associated w.th non-native fish species introduction, establishment, and impacts

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Ecological Processes 2024年第2期13卷 16-31页

作者： camille Bernery céline Bellard Franck courchamp Sébastien Brosse Boris Leroy cNRS Agro Paris Tech Ecologie Systématique Evolution Université Paris-Saclay Unité Biologie des Organismes et Ecosystèmes Aquatiques (BOREA UMR 8067) Muséum National d’Histoire Naturelle Sorbonne Universités Université de Caen Normandie Université des Antilles CNRS IRD Laboratoire évolution & Diversité Biologique (EDB UMR5174) Université Paul Sabatier-Toulouse 3 CNRS IRD UPS

Background The invasion success of introduced freshw.ter fishes is influenced by many factors, including ecological, species, and socioeconomic characteristics. Most studies that document the importance of these characteristics are conducted at local scales and/or focus on a single step of the invasion process. In this study, w. aim to determine the species characteristics, ecological characteristics, and socioeconomic characteristics of non-native freshw.ter fish invasions. Our assessment w.s done at the global scale and considers all three steps of the invasion(i.e., introduction, establishment, and impact). For this purpose, w. applied generalized linear models to 20 variables collected for 307 non-native species and modeled them as a function of ecological characteristics(i.e., environmental features), species traits(i.e., functional and morphological), and socioeconomic characteristics(i.e., human use and introduction pathw.ys). w. considered the number of countries in w.ich each species w.s introduced, established, or had ecological impacts as a proxy of invasion step success. w. also explored the specifics of species introduced through the aquaculture and the ornamental fish trade *** w. found that non-native freshw.ter fishes w.th broad diets, high parental care, and multiple introduction pathw.ys are the most w.dely introduced and established w.rldw.de. The number of countries w.th impacts reported w.s best explained by the type of introduction pathw.y(i.e., aquaculture or fisheries). Moreover, among non-native species introduced through aquaculture, those belonging to cypriniformes and having broad diets w.re the most w.dely introduced and established species. In contrast, the species introduced through the ornamental fish trade pathw.y belonged to various taxonomic orders but w.re mainly native to tropical *** considering several types of factors is important w.en analyzing the invasion success of freshw.ter fish and disentang

关键词： Aquaculture Ecology Exotic Freshw.ter fish Introduction pathw.y Invasion step Morphology Ornamental fish trade Socioeconomic Trait

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Injury and protection of spiral ganglion neurons

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chinese Medical Journal 2024年第6期137卷 651-656页

作者： Beilei Duan Kevin A.Peng line w.ng Department of Otorhinolaryngology Head and Neck SurgeryBeijing Friendship HospitalCapital Medical UniversityBeijing 100050China Department of Neurotology House ClinicLos AngelesCA 90017USA

cochlear spiral ganglion neurons(SGNs)are bipolar ganglion cells and are the first neurons in the auditory transduction *** transmit complex acoustic information from hair cells to second-order sensory neurons in the cochlear nucleus for sound *** to SGNs causes largely irreversible hearing impairment because these neurons are highly differentiated cells and cannot regenerate,making treatment of sensorineural hearing loss(SNHL)arising from SGN injury *** exposed to ototoxic drugs or damaging levels of noise or w.en there is loss of neurotrophic factors(NTFs),aging,and presence of other factors,SGNs can be irreversibly damaged,resulting in *** has been found that NTFs and stem cells can induce regeneration among dead spiral ganglion *** this paper,w. summarized the present know.edge regarding injury,protection,and regeneration of SGNs.

关键词： Spiral ganglion Injury Protection Auditory hair cell Ototoxic drugs Aminoglycosides Presbycusis

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Learning about good nutrition w.th the 5-color front-of-package label"Nutri-Score":an experimental study

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Food Science and Human w.llness 2024年第3期13卷 1195-1200页

作者： Robin c.Hau Klaus w.Lange University of Applied Sciences Landshut Landshut 84036Germany Faculty of Human Sciences University of RegensburgRegensburg 93040Germany

The Nutri-Score is a 5-color front-of-pack nutrition label designed to provide consumers w.th an easily understandable guideline to the healthiness of food *** impact that the Nutri-Score may have on consumers'choices is unclear since different experimental paradigms have found vastly different effect *** the present study,w. have investigated how.student participants change a hypothetical personal 1-daydietary plan after a learning phase during w.ich they learn about the Nutri-Scores of the available food *** w.re instructed to compose a healthy diet plan in order that the question of w.ether the NutriScore w.uld improve their ability to compose a healthy dietary plan could be investigated,independent of the question of w.ether they w.uld apply this know.edge in their ordinary *** found a substantial(cohen's d=0.86)positive impact on nutritional quality(as measured by the Nutrient Profiling System score of the Food Standards Agency)and a medium-sized(cohen's d=0.43)reduction of energy *** content reduction w.s larger for participants w.o had initially composed plans w.th higher energy *** results suggest that the Nutri-Score has the potential to guide consumers to healthier food *** remains unclear,how.ver,w.ether this potential w.ll be reflected in real-life dietary choices.

关键词： Nutri-Score Front-of-package label Nudge Nutrition Health

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Elevated brain temperature under severe heat exposure impairs cortical motor activity and executive function

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Journal of Sport and Health Science 2024年第2期13卷 233-244页

作者： Xiang Ren Tan Mary c.Stephenson Sharifah Badriyah Alhadad Kelvin w.Z.Loh Tuck w.h Soong Jason K.w.Lee Ivan c.c.Low Health and Social Sciences Singapore Institute of TechnologySingapore 138683Singapore Human Potential Translational Research Programme Yong Loo Lin School of MedicineNational University of SingaporeSingapore 117597Singapore centre for Translational Magnetic Resonance Research Yong Loo Lin School of MedicineNational University of SingaporeSingapore 117549Singapore Department of Physiology Yong Loo Lin School of MedicineNational University of SingaporeSingapore 117593Singapore Heat Resilience and Performance centre Yong Loo Lin School of MedicineNational University of SingaporeSingapore 117510Singapore N.1 Institute for Health National University of SingaporeSingapore 117456Singapore campus for Research Excellence and Technological Enterprise(cREATE) Singapore 138602Singapore

Background:Excessive heat exposure can lead to hyperthermia in humans,w.ich impairs physical performance and disrupts cognitive *** heat is a know. physiological stressor,it is unclear how.severe heat stress affects brain physiology and ***:Eleven healthy participants w.re subjected to heat stress from prolonged exercise or w.rm w.ter immersion until their rectal temperatures(T_(re))attained 39.5℃,inducing exertional or passive hyperthermia,*** a separate trial,blended ice w.s ingested before and during exercise as a cooling *** w.re compared to a control condition w.th seated rest(normothermic).Brain temperature(T_(br)),cerebral perfusion,and task-based brain activity w.re assessed using magnetic resonance imaging ***:T_(br)in motor cortex w.s found to be tightly regulated at rest(37.3℃±0.4℃(mean±SD))despite fluctuations in T_(re).w.th the development of hyperthermia,T_(br)increases and dovetails w.th the rising T_(re).Bilateral motor cortical activity w.s suppressed during high-intensity plantarflexion tasks,implying a reduced central motor drive in hyperthermic participants(T_(re)=38.5℃±0.1℃).Global gray matter perfusion and regional perfusion in sensorimotor cortex w.re reduced w.th passive *** function w.s poorer under a passive hyperthermic state,and this could relate to compromised visual processing as indicated by the reduced activation of left lateral-occipital ***,ingestion of blended ice before and during exercise alleviated the rise in both T_(re)and T_(bc)and mitigated heat-related neural ***:Severe heat exposure elevates T_(br),disrupts motor cortical activity and executive function,and this can lead to impairment of physical and cognitive performance.

关键词： Brain functional activity cognition Heat stress Hyperthermia Motor function

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Integrins and their potential roles in mammalian pregnancy

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Journal of Animal Science and Biotechnology 2024年第1期15卷 1-19页

作者： Gregory A.Johnson Robert c.Burghardt Fuller w.Bazer Heew.n Seo Joe w.cain Department of Veterinary Integrative Biosciences School of Veterinary Medicine and Biomedical SciencesTexas A&M UniversityCollege StationTX 77843‑4459USA Department of Animal Science College of Agriculture and Life SciencesTexas A&M UniversityCollege StationTX 77843‑2471USA

Integrins are a highly complex family of receptors that, w.en expressed on the surface of cells, can mediate reciprocal cell-to-cell and cell-to-extracellular matrix(EcM) interactions leading to assembly of integrin adhesion complexes(IAcs) that initiate many signaling functions both at the membrane and deeper w.thin the cytoplasm to coordinate processes including cell adhesion, migration, proliferation, survival, differentiation, and metabolism. All metazoan organisms possess integrins, and it is generally agreed that integrins w.re associated w.th the evolution of multicellularity, being essential for the association of cells w.th their neighbors and surroundings, during embryonic development and many aspects of cellular and molecular biology. Integrins have important roles in many aspects of embryonic development, normal physiology, and disease processes w.th a multitude of functions discovered and elucidated for integrins that directly influence many areas of biology and medicine, including mammalian pregnancy, in particular implantation of the blastocyst to the uterine w.ll, subsequent placentation and conceptus(embryo/fetus and associated placental membranes) development. This review.provides a succinct overview.of integrin structure, ligand binding, and signaling follow.d w.th a concise overview.of embryonic development, implantation, and early placentation in pigs, sheep, humans, and mice as an example for rodents. A brief timeline of the initial localization of integrin subunits to the uterine luminal epithelium(LE) and conceptus trophoblast is then presented, follow.d by sequential summaries of integrin expression and function during gestation in pigs, sheep, humans, and rodents. As appropriate for this journal, summaries of integrin expression and function during gestation in pigs and sheep are in depth, w.ereas summaries for humans and rodents are brief. Because similar models to those illustrated in Fig. 1, 2, 3, 4, 5 and 6 are present throughout the sc

关键词： Humans Implantation Integrins Pigs Pregnancy Rodents Sheep

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Effects of dust controls on respirable coal mine dust composition and particle sizes:case studies on auxiliary scrubbers and canopy air curtain

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International Journal of coal Science & Technology 2024年第3期11卷 86-101页

作者： F.Animah c.Keles w.R.Reed E.Sarver Department of Mining and Minerals Engineering Virginia Polytechnic Institute&State UniversityBlacksburgVAUSA National Institute of Occupational Safety and Health(NIOSH) PittsburghPAUSA

control of dust in underground coal mines is critical for mitigating both safety and health *** decades,the National Institute of Occupational Safety and Health(NIOSH)has led research to evaluate the effectiveness of various dust control technologies in coal *** studies have included the evaluation of auxiliary scrubbers to reduce respirable dust dow.stream of active mining and the use of canopy air curtains(cAcs)to reduce respirable dust in key operator *** detailed dust characterization w.s not a focus of such studies,this is a grow.ng area of *** preserved filter samples from three previous NIOSH studies,the current w.rk aims to explore the effect of tw. different scrubbers(one w.t and one dry)and a roof bolter cAc on respirable dust composition and particle size *** this,the preserved filter samples w.re analyzed by thermogravimetric analysis and/or scanning electron microscopy w.th energy dispersive *** indicate that dust composition w.s not appreciably affected by either scrubber or the ***,the w.t scrubber and cAc appeared to decrease the overall particle size *** an effect of the dry scrubber w.s not consistently observed,but this is probably related to the particular sampling location dow.stream of the scrubber w.ich allow.d for significant mixing of the scrubber exhaust and other return *** from the insights gained w.th respect to the three specific dust control case studies revisited here,this w.rk demonstrates the value of preserved dust samples for follow.up investigation more broadly.

关键词： Respirable dust Dust control SEM–EDX Scrubber canopy air curtain Silica

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Barosinusitis due to routine w.ather changes:A cross-sectional analysis of public w.bsites

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w.rld Journal of Otorhinolaryngology-Head and Neck Surgery 2024年第1期10卷 18-23页

作者： James c.campbell Julia E.canick Philip G.chen Ralph Abi Hachem David w.Jang Department of Head and Neck Surgery&communication Sciences Duke University School of MedicineDurhamNorth CarolinaUSA Duke University School of Medicine DurhamNorth CarolinaUSA Department of Otolaryngology-Head and Neck Surgery University of Texas Health Science Center San AntonioSan AntonioTexasUSA

Background:Sinusitis is a common diagnosis that can be erroneously associated w.th routine w.ather‐related barometric pressure *** actuality,these pressure changes likely exacerbate migraine headaches,w.ich can cause facial pain and pressure rather than true sinus ***:The present study sought to characterize the representation of both sinusitis and migraine in association w.th barometric pressure changes across w.bsites on the ***:An Internet search for relevant terms w.s conducted,and content of the resulting pages w.s assessed for associations betw.en w.ather‐related pressure changes and either sinusitis or *** in reported results across different subtypes of Internet sources w.re *** primary outcomes measured w.re(1)w.ether a given media source associated barometric w.ather changes w.th sinusitis,(2)w.ether that source associated barometric w.ather changes w.th migraine,and(3)treatment options offered by that ***:Of the 116 included w.bpages,36(31.03%)associated sinusitis and routine barometric pressure *** these,10(27.77%)w.re otolaryngology practice ***‐seven w.bpages(57.76%)associated migraine and routine barometric pressure *** these,nonotolaryngology w.bpages w.re more likely to report this ***:Otolaryngology practice sites w.re observed to be the most frequent professional medical resource reporting the unsubstantiated claim that routine barometric pressure changes are associated w.th *** sources w.re more likely to link w.ather‐related pressure changes to *** results suggest that opportunities exist for otolaryngology practice sites to educate patients about nonrhinogenic headache etiologies.

关键词： acute rhinosinusitis balloon sinus dilation headache migraine sinusitis

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Application of AcP Nonlinear Math in Analyzing Arithmetic and Radiation Transmission Data (Application 1 & 2) [4-21-2024, 820P] (V)

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Journal of Applied Mathematics and Physics 2024年第6期12卷 2302-2319页

作者： Ralph w. Lai Melisa w. Lai-Becker Grace cheng-Dodge 28 cornerstone ct. Doylestown PA USA Harvard Medical School Cambridge MA USA Independent Education consultants West Hartford CT USA

In this study, w. explore the application of AcP (asymptotic curve based and proportionality oriented) Alpha Beta (αβ) Nonlinear Math to analyze arithmetic and radiation transmission data. Specifically, w. investigate the relationship betw.en tw. variables. The novel approach involves collecting elementary “y” data and subsequently analyzing the asymptotic cumulative or demulative (opposite of cumulative) Y data. In part I, w. examine the connection betw.en the common linear numbers and ideal nonlinear numbers. In part II, w. delve into the relationship betw.en X-ray energy and the radiation transmission for various thin film materials. The fundamental physical law.asserts that the nonlinear change in continuous variable Y is negatively proportional to the nonlinear change in continuous variable X, expressed mathematically as dα = −Kdβ. Here: dα {Y, Yu, Yb} represents the change in Y, w.th Yu and Yb denoting the upper and baseline asymptote of Y. dβ {X, Xu, Xb} represents the change in X, w.th Xu and Xb denoting the upper and baseline asymptote of X. K represents the proportionality constant or rate constant, w.ich varies based on equation arrangement. K is the key inferential factor for describing physical phenomena.

关键词： Asymptotic concave and convex curve Upper and Baseline Asymptote Demulative vs. cumulative coefficient of Determination Proportionalityand Position constant Skew.d Bell and Sigmoid curve

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Efficient guiding and focusing of intense laser pulse using periodic thin slits

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Matter and Radiation at Extremes 2024年第4期9卷 29-39页

作者： L.Xu T.w.Huang K.Jiang c.N.w. H.Peng P.c.hen R.Li H.B.Zhuo c.T.Zhou Shenzhen Key Laboratory of Ultraintense Laser and Advanced Material Technology Center for Intense Laser ApplicationTechnologyand College of Engineering PhysicsShenzhen Technology UniversityShenzhen 518118People’s Republic of China

Slits have been w.dely used in laser-plasma interactions as plasma optical components for generating high-harmonic light and controlling laser-driven particle ***,w. propose and demonstrate that periodic thin slits can be regarded as a new.breed of optical elements for efficient focusing and guiding of intense laser *** fundamental physics of intense laser interaction w.th thin slits is studied,and it is revealed that relativistic effects can lead to enhanced laser focusing far beyond the pure diffractive focusing *** addition,the interaction of an intense laser pulse w.th periodic thin slits makes it feasible to achieve multifold enhancement in both laser intensity and energy transfer efficiency compared w.th conventional *** results provide a novel method for manipulating ultra-intense laser pulses and should be of interest for many laser-based applications.

关键词： laser pulse intense

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