model Evaluating the reliability of species distribution models with an indirect measure of bird reproductive performance By www.eubon.eu Published On :: Mon, 24 Apr 2017 11:48:08 +0300 Full Article Events
model Accounting for biotic interaction though alpha-diversity constraints in stacked species distribution models By www.eubon.eu Published On :: Fri, 05 May 2017 17:18:50 +0300 Full Article Events
model Long-term monitoring data meet freshwater species distribution models: Lessons from an LTER-site By www.eubon.eu Published On :: Tue, 09 May 2017 15:23:55 +0300 Full Article Events
model Aging Gracefully with Model Kim Alexis By www1.cbn.com Published On :: Thursday, January 4, 2024 - 9:45am AGING NATURALLY AND GRACEFULLY Now in her 60’s, Kim is determined to age as naturally and healthfully as possible, and to help others to do likewise. Through personal research, she’s learned a lot about what’s beneficial to put in and on our bodies, and what’s not. For example, she’s decided not to color her hair, use fillers (e.g. Botox), or have plastic surgery. Kim believes we can all age more naturally through daily choices about food, avoiding toxins, exercising, and educating ourselves... Full Article
model Aspects of Building Information Modeling By www.wconline.com Published On :: Mon, 14 May 2012 00:00:00 -0400 Over the past 15 years, building information modeling has developed into the undeniable future of the architecture and design industry. Full Article
model Building Information Modeling (BIM) and What it Means for Takeoff By www.wconline.com Published On :: Sat, 01 Dec 2018 00:00:00 -0500 As the construction industry relies more and more on BIM for building projects, there is pressure mounting for the cost estimator to use BIM for takeoffs. Full Article
model CertainTeed Gypsum Makes BIM Models Available Online By www.wconline.com Published On :: Wed, 20 Feb 2013 12:14:19 -0500 Full Article
model Oak City Remodeling Enhances Service Options with Full-Service Design By www.wconline.com Published On :: Mon, 18 Mar 2024 18:00:00 -0400 Oak City Remodeling in Raleigh, North Carolina, elevates the home renovation experience with comprehensive services. Full Article
model OSHA requests input on ‘consortium’ model for online training By www.safetyandhealthmagazine.com Published On :: Mon, 14 Oct 2019 00:00:00 -0400 Washington — OSHA is seeking public comment as it considers a new online delivery model for its Outreach Training Program. Full Article
model Resource offers model policies for protecting fire-based EMS workers from violence By www.safetyandhealthmagazine.com Published On :: Wed, 25 Jan 2023 00:00:00 -0500 Philadelphia — Drexel University’s Center for Firefighter Injury Research & Safety Trends has created model organizational policies aimed at addressing stress and violence in fire-based emergency medical services workers. Full Article
model NSC unveils SIF prevention model during Campbell Institute Forum By www.safetyandhealthmagazine.com Published On :: Mon, 16 Sep 2024 00:00:00 -0400 Orlando, FL — Amplify workers’ voices and keep learning, experts stressed Monday at the 2024 NSC Safety Congress & Expo during a Campbell Institute Forum discussion on serious incident and fatality prevention. Full Article
model Brivo & WORKTECH Academy Release Digital Transformation Model By www.sdmmag.com Published On :: Sat, 27 May 2023 11:00:00 -0400 Together with WORKTECH Academy, Brivo has created a model that enables a company to plot where it is on its journey to digital transformation and hybrid working. Full Article
model Lumeo Unveils AI Search & Analytics Using Generative AI Models By www.sdmmag.com Published On :: Fri, 26 Jul 2024 17:00:00 -0400 With the growth of video content across various industries, Lumeo said the ability to efficiently analyze and derive insights from this data is crucial. Full Article
model Sustainable Plant of the Year: Stahlbush Island Farms - A model of self-sufficiency By www.foodengineeringmag.com Published On :: Wed, 07 Nov 2012 10:30:00 -0500 A biogas system has transformed Stahlbush Island farms into a carbon negative operation, removing more carbon dioxide from the atmosphere than it is responsible for creating. Full Article
model Laying a Model of Sustainability for Food Processing By www.foodengineeringmag.com Published On :: Mon, 12 Jun 2023 00:00:00 -0400 It only takes a few seconds after stepping into Vital Farms’ Egg Central Station (ECS) to realize that the company truly loves its egg-related puns. If there’s writing nearby, be it on a wall, memo or bulletin board, there’s a pun not far behind. They’re part of an ethos that starts from the top and flows down the company’s ranks to put a smile on someone’s face, even if just for a second. That idea of doing good extends beyond the facility walls to its other locations, the farmers who supply the eggs, the consumers who buy the product and, finally, to the planet itself. That visible commitment to the environment is why the addition at ECS was chosen as FOOD ENGINEERING’s 2023 Sustainable Plant of the Year. Full Article
model Starnet Members See Bright Future with Expanded Service Model By www.floortrendsmag.com Published On :: Mon, 28 Oct 2024 17:00:00 -0400 From the Starnet Worldwide Commercial Flooring fall meeting, commercial flooring contractors report that diversified services and building and durable business models are helping them sustain growth into 2025. Full Article
model Houzz Remodeling Study Shows Flooring Most Popular By www.floortrendsmag.com Published On :: Mon, 01 Sep 2014 00:00:00 -0400 While the economy in 2014 is more sluggish than it was a year ago—due to a variety of reasons—there remains hope for those in the industry. Full Article
model Evaluation and selection of the quality of internal doors for buildings using building information modeling building information modeling (BIM) By academicjournals.org Published On :: Sun, 31 Jan 2021 00:00:00 +0100 The selection of building materials from various available alternatives is a critical process affected by many complicated factors. Every single element in a building has a specific function to perform. This necessitates a proper selection of material from the various available alternatives, which generally differ in their quality, performance, and cost. To make the most practical choice, th... Full Article
model Cracks in the well-plastered façade of the Nordic model: reflections on inequalities in housing and mobility in (post-)coronavirus pandemic Sweden. By ezproxy.scu.edu.au Published On :: Mon, 01 Aug 2022 00:00:00 -0400 Children's Geographies; 08/01/2022(AN 158427721); ISSN: 14733285Academic Search Premier Full Article SWEDEN COVID-19 pandemic HOUSING discrimination RACIAL inequality PUBLIC transit YOUNG adults
model Application of the COM-B model to the correlates of children's outdoor playing and the potential role of digital interventions: a systematic literature review. By ezproxy.scu.edu.au Published On :: Thu, 01 Jun 2023 00:00:00 -0400 Children's Geographies; 06/01/2023(AN 164286253); ISSN: 14733285Academic Search Premier Full Article CHILD behavior DIGITAL technology PERFORMANCE in children
model Multi-dimensional lens to article 12 of the UNCRC: a model to enhance children's participation. By ezproxy.scu.edu.au Published On :: Thu, 01 Jun 2023 00:00:00 -0400 Children's Geographies; 06/01/2023(AN 164286248); ISSN: 14733285Academic Search Premier Full Article BRAZIL PARTICIPATION CONVENTION on the Rights of the Child
model Modelling geographic access and school catchment areas across public primary schools to support subnational planning in Kenya. By ezproxy.scu.edu.au Published On :: Sun, 01 Oct 2023 00:00:00 -0400 Children's Geographies; 10/01/2023(AN 173035616); ISSN: 14733285Academic Search Premier Full Article KENYA SUSTAINABLE Development Goals (United Nations) TRAVEL time (Traffic engineering) PRIMARY schools PUBLIC spaces PUBLIC schools COST allocation
model Identifying clientelism in orphanages: a conceptual model. By ezproxy.scu.edu.au Published On :: Thu, 01 Aug 2024 00:00:00 -0400 Children's Geographies; 08/01/2024(AN 178911406); ISSN: 14733285Academic Search Premier Full Article PARENTAL death SOCIAL networks ORPHANAGES PATRONAGE CONCEPTUAL models
model Considering a Unified Model of Artificial Intelligence Enhanced Social Work: A Systematic Review By ifp.nyu.edu Published On :: Sat, 02 Nov 2024 15:24:39 +0000 Abstract Social work, as a human rights–based profession, is globally recognized as a profession committed to enhancing human well-being and helping meet the basic needs of all people, with a particular focus on those who are marginalized vulnerable, oppressed, or living in poverty. Artificial intelligence (AI), a sub-discipline of computer science, focuses on developing computers […] The post Considering a Unified Model of Artificial Intelligence Enhanced Social Work: A Systematic Review was curated by information for practice. Full Article Meta-analyses - Systematic Reviews
model Potential Schizophrenia Medications Point to New Disease Model By ifp.nyu.edu Published On :: Mon, 07 Oct 2024 20:07:41 +0000 The post Potential Schizophrenia Medications Point to New Disease Model was curated by information for practice. Full Article Infographics
model A Loss Cycle of Burnout Symptoms and Reduced Coping Self-Efficacy: A Latent Change Score Modelling Approach By ifp.nyu.edu Published On :: Sat, 02 Nov 2024 15:59:30 +0000 Chronic Stress, Volume 8, Issue , January-December 2024. Police officers are frequently faced with chronic and acute stressors, such as excessive workload, organizational stressors and emotionally charged reports. This study aims to examine the relationship between a form of chronic strain (ie, burnout symptoms) and a resource (ie, coping self-efficacy) in a sample of Dutch […] The post A Loss Cycle of Burnout Symptoms and Reduced Coping Self-Efficacy: A Latent Change Score Modelling Approach was curated by information for practice. Full Article Open Access Journal Articles
model Staff Verification Engineer, CPU Modelling, Experienced Professionals, Bangalore, India, Software Engineering By careers.peopleclick.com Published On :: Wednesday, July 29, 2020 6:03:46 PM EDT IntroductionArm architects the pervasive intelligence that is transforming our daily experience. Arm-based chips and device architectures orchestrate the performance of the technology that makes modern life possible.Arm designs the technology which is at the heart of advanced digital products, from wireless, networking and consumer entertainment solutions to imaging, automotive, security and storage devices. Arm improves people’s lives by enabling the intelligence in affordable, easy-to-use electronic products that transform the way we live and work. We work in partnership with a global network of leading technology companies which are using our smart low-power technology. Together we are shaping the future of a better world.Today, We are well recognized as the market leader in the CPU and System IP industry and this has been achieved by consistently delivering reliable and high-quality IP products. The cost of design and manufacturing and that warrants “right first time” approach for all IP and System products by our partners. Time-to-market is critical for our partners to deal with fierce competition in the marketplace, being first would enable them to get premium value from the end products. In this context, Design Verification of CPU IPs is a big challenge requiring an engineering skillset that is both broad and deep. Full Article
model CPU Performance –Sr Principal Modeling Architect, Experienced Professionals, Austin (TX), USA, Hardware Engineering By careers.peopleclick.com Published On :: Friday, January 17, 2020 7:07:41 PM EST About this roleIf you are a technical lead with engineering expertise in CPU microarchitecture, performance-model development, performance analysis, or workload analysis, we would like to talk with you about joining Arm’s highly successful CPU performance architecture team based in Austin. Our team plays a major role in crafting our next-generation Cortex-A class CPU designs and in enabling Arm partners to use our designs in world-class products. As a senior member of this expert team, you will own substantial and challenging performance projectsWhat types of projects will you accomplish?Collaborate with other members of the design team - primarily in Austin - to help design our next-generation CPU microarchitectureLend your expertise across all Performance sub-disciplines: microarchitecture and performance model development, microarchitectural performance analysis, RTL/performance-model correlation, workload analysis, and workload developmentEngage with key partners at an engineering level to understand their future performance requirements, performance sensitivities, and workload expectationsHelp develop the team and be a mentor to engineersInteract with customers and other third parties to successfully communicate complex technical ideas, and participate in internal and customer meetings Full Article
model 2021 Graduate Modelling Engineer - Cambridge, Graduates, Cambridge, UK, Cambridge, UK, Software Engineering By careers.peopleclick.com Published On :: Monday, August 24, 2020 7:29:16 AM EDT We have an exciting opportunity for a graduate developer in the GPU modelling team, based in Cambridge. We work with software models which are state-of-the-art representations of our products. They are used by several teams within the company and are delivered externally to some of our partners.We develop in C++ in a UNIX environment. Working in the GPU modelling team, your role will primarily be to model the functional and performance aspects of our GPUs. You will be working with dedicated and talented people across the globe as part of our multi-site development projects. Your work will have a large impact on the design and quality of our GPUs and ultimately on the success of Arm.If you would like to shape the future of energy-efficient devices, this is the place to be! Full Article
model One Size Does Not Fit All: Unraveling Item Response Process Heterogeneity Using the Mixture Dominance-Unfolding Model (MixDUM) By ifp.nyu.edu Published On :: Tue, 05 Nov 2024 04:09:24 +0000 Organizational Research Methods, Ahead of Print. When modeling responses to items measuring non-cognitive constructs that require introspection (e.g., personality, attitude), most studies have assumed that respondents follow the same item response process—either a dominance or an unfolding one. Nevertheless, the results are not equivocal, as some preliminary evidence suggests that some people use an unfolding […] The post One Size Does Not Fit All: Unraveling Item Response Process Heterogeneity Using the Mixture Dominance-Unfolding Model (MixDUM) was curated by information for practice. Full Article Journal Article Abstracts
model Remodeling Project by Marcus Coker By www.flickr.com Published On :: Thu, 18 Sep 2014 21:36:53 -0700 Marcus of All Trades posted a photo: Full Article
model Do Ohio High Schools Need To Take A Closer Look At "Pay-to-Play"Model? By radio.wosu.org Published On :: Fri, 26 Feb 2016 21:28:12 +0000 It can costs kids and parents several hundred dollars to play a single sport in high school. Could there be big changes to the "pay-to-play" system in Ohio? Full Article
model Penn GSE, the School District of Philadelphia, Foundations, Inc. and the Consortium for Policy Research in Education Partnering to Create an Innovative and Scalable College and Career Readiness Model for Students By www.newswise.com Published On :: Tue, 12 Nov 2024 11:30:27 EST The University of Pennsylvania Graduate School of Education (Penn GSE) has been awarded $3.5 million, part of a larger $8 million grant from Education Initiatives, to partner with the School District of Philadelphia (SDP) to launch The Academy at Penn, an innovative five-year, cohort-based college- and career-readiness model for high school students. Foundations, Inc. and the Consortium for Policy Research in Education (CPRE) were also awarded through the grant as part of the larger partnership. The close collaboration involves working together to design, implement, and evaluate the project. Full Article
model Business Models and Lean Startup By www.newswise.com Published On :: Tue, 05 Nov 2024 09:25:59 EST Full Article
model First national-scale groundwater model in Great Britain developed - British Geological Survey By news.google.com Published On :: Tue, 14 May 2024 10:50:37 GMT First national-scale groundwater model in Great Britain developed British Geological Survey Full Article
model Seed layer formation by deposition of micro-crystallites on a revolving substrate: modeling of the effective linear elastic, piezoelectric, and dielectric coefficients By journals.iucr.org Published On :: The rotating substrate method of crystallite deposition is modeled, allowing computation of effective material coefficients of the layers resulting from the averaging. A worked numerical example particularized to 6mm ZnO is provided. Full Article text
model Analytical models representing X-ray form factors of ions By journals.iucr.org Published On :: 2024-01-01 Parameters in analytical models for X-ray form factors of ions f0(s), based on the inverse Mott–Bethe formula involving a variable number of Gaussians, are determined for a wide range of published data sets {s, f0(s)}. The models reproduce the calculated form-factor values close to what is expected from a uniform statistical distribution with limits determined by their precision. For different ions associated with the same atom, the number of Gaussians in the models decreases with increasing net positive charge. Full Article text
model Modelling dynamical 3D electron diffraction intensities. I. A scattering cluster algorithm By journals.iucr.org Published On :: 2024-01-25 Three-dimensional electron diffraction (3D-ED) is a powerful technique for crystallographic characterization of nanometre-sized crystals that are too small for X-ray diffraction. For accurate crystal structure refinement, however, it is important that the Bragg diffracted intensities are treated dynamically. Bloch wave simulations are often used in 3D-ED, but can be computationally expensive for large unit cell crystals due to the large number of diffracted beams. Proposed here is an alternative method, the `scattering cluster algorithm' (SCA), that replaces the eigen-decomposition operation in Bloch waves with a simpler matrix multiplication. The underlying principle of SCA is that the intensity of a given Bragg reflection is largely determined by intensity transfer (i.e. `scattering') from a cluster of neighbouring diffracted beams. However, the penalty for using matrix multiplication is that the sample must be divided into a series of thin slices and the diffracted beams calculated iteratively, similar to the multislice approach. Therefore, SCA is more suitable for thin specimens. The accuracy and speed of SCA are demonstrated on tri-isopropyl silane (TIPS) pentacene and rubrene, two exemplar organic materials with large unit cells. Full Article text
model Modelling dynamical 3D electron diffraction intensities. II. The role of inelastic scattering By journals.iucr.org Published On :: 2024-01-25 The strong interaction of high-energy electrons with a crystal results in both dynamical elastic scattering and inelastic events, particularly phonon and plasmon excitation, which have relatively large cross sections. For accurate crystal structure refinement it is therefore important to uncover the impact of inelastic scattering on the Bragg beam intensities. Here a combined Bloch wave–Monte Carlo method is used to simulate phonon and plasmon scattering in crystals. The simulated thermal and plasmon diffuse scattering are consistent with experimental results. The simulations also confirm the empirical observation of a weaker unscattered beam intensity with increasing energy loss in the low-loss regime, while the Bragg-diffracted beam intensities do not change significantly. The beam intensities include the diffuse scattered background and have been normalized to adjust for the inelastic scattering cross section. It is speculated that the random azimuthal scattering angle during inelastic events transfers part of the unscattered beam intensity to the inner Bragg reflections. Inelastic scattering should not significantly influence crystal structure refinement, provided there are no artefacts from any background subtraction, since the relative intensity of the diffracted beams (which includes the diffuse scattering) remains approximately constant in the low energy loss regime. Full Article text
model Automated selection of nanoparticle models for small-angle X-ray scattering data analysis using machine learning By journals.iucr.org Published On :: 2024-02-29 Small-angle X-ray scattering (SAXS) is widely used to analyze the shape and size of nanoparticles in solution. A multitude of models, describing the SAXS intensity resulting from nanoparticles of various shapes, have been developed by the scientific community and are used for data analysis. Choosing the optimal model is a crucial step in data analysis, which can be difficult and time-consuming, especially for non-expert users. An algorithm is proposed, based on machine learning, representation learning and SAXS-specific preprocessing methods, which instantly selects the nanoparticle model best suited to describe SAXS data. The different algorithms compared are trained and evaluated on a simulated database. This database includes 75 000 scattering spectra from nine nanoparticle models, and realistically simulates two distinct device configurations. It will be made freely available to serve as a basis of comparison for future work. Deploying a universal solution for automatic nanoparticle model selection is a challenge made more difficult by the diversity of SAXS instruments and their flexible settings. The poor transferability of classification rules learned on one device configuration to another is highlighted. It is shown that training on several device configurations enables the algorithm to be generalized, without degrading performance compared with configuration-specific training. Finally, the classification algorithm is evaluated on a real data set obtained by performing SAXS experiments on nanoparticles for each of the instrumental configurations, which have been characterized by transmission electron microscopy. This data set, although very limited, allows estimation of the transferability of the classification rules learned on simulated data to real data. Full Article text
model Animations, videos and 3D models for teaching space-group symmetry By journals.iucr.org Published On :: Animations, videos and 3D models have been designed to visualize the effects of symmetry operators on selected cases of crystal structures, pointing out the relationship with the diagrams published in International Tables for Crystallography, Vol. A. Full Article text
model Towards expansion of the MATTS data bank with heavier elements: the influence of the wavefunction basis set on the multipole model derived from the wavefunction By journals.iucr.org Published On :: This study examines the quality of charge density obtained by fitting the multipole model to wavefunctions in different basis sets. The complex analysis reveals that changing the basis set quality from double- to triple-zeta can notably improve the charge density related properties of a multipole model. Full Article text
model Optimal operation guidelines for direct recovery of high-purity precursor from spent lithium-ion batteries: hybrid operation model of population balance equation and data-driven classifier By journals.iucr.org Published On :: This study proposes an operation optimization framework for impurity-free recycling of spent lithium-ion batteries. Using a hybrid population balance equation integrated with a data-driven condition classifier, the study firstly identifies the optimal batch and semi-batch operation conditions that significantly reduce the operation time with 100% purity of product; detailed guidelines are given for industrial applications. Full Article text
model Animations, videos and 3D models for teaching space-group symmetry By journals.iucr.org Published On :: 2024-10-16 A series of animations, videos and 3D models that were developed, filmed or built to teach the symmetry properties of crystals are described. At first, these resources were designed for graduate students taking a basic crystallography course, coming from different careers, at the National Autonomous University of Mexico. However, the COVID-19 pandemic had the effect of accelerating the generation of didactic material. Besides our experience with postgraduate students, we have noted that 3D models attract the attention of children, and therefore we believe that these models are particularly useful for teaching children about the assembled arrangements of crystal structures. Full Article text
model Influence of device configuration and noise on a machine learning predictor for the selection of nanoparticle small-angle X-ray scattering models By journals.iucr.org Published On :: 2024-09-23 Small-angle X-ray scattering (SAXS) is a widely used method for nanoparticle characterization. A common approach to analysing nanoparticles in solution by SAXS involves fitting the curve using a parametric model that relates real-space parameters, such as nanoparticle size and electron density, to intensity values in reciprocal space. Selecting the optimal model is a crucial step in terms of analysis quality and can be time-consuming and complex. Several studies have proposed effective methods, based on machine learning, to automate the model selection step. Deploying these methods in software intended for both researchers and industry raises several issues. The diversity of SAXS instrumentation requires assessment of the robustness of these methods on data from various machine configurations, involving significant variations in the q-space ranges and highly variable signal-to-noise ratios (SNR) from one data set to another. In the case of laboratory instrumentation, data acquisition can be time-consuming and there is no universal criterion for defining an optimal acquisition time. This paper presents an approach that revisits the nanoparticle model selection method proposed by Monge et al. [Acta Cryst. (2024), A80, 202–212], evaluating and enhancing its robustness on data from device configurations not seen during training, by expanding the data set used for training. The influence of SNR on predictor robustness is then assessed, improved, and used to propose a stopping criterion for optimizing the trade-off between exposure time and data quality. Full Article text
model Modelling the power threshold and optimum thermal deformation of indirectly liquid-nitrogen cryo-cooled Si monochromators By journals.iucr.org Published On :: 2024-04-09 Maximizing the performance of crystal monochromators is a key aspect in the design of beamline optics for diffraction-limited synchrotron sources. Temperature and deformation of cryo-cooled crystals, illuminated by high-power beams of X-rays, can be estimated with a purely analytical model. The analysis is based on the thermal properties of cryo-cooled silicon crystals and the cooling geometry. Deformation amplitudes can be obtained, quickly and reliably. In this article the concept of threshold power conditions is introduced and defined analytically. The contribution of parameters such as liquid-nitrogen cooling efficiency, thermal contact conductance and interface contact area of the crystal with the cooling base is evaluated. The optimal crystal illumination and the base temperature are inferred, which help minimize the optics deformation. The model has been examined using finite-element analysis studies performed for several beamlines of the Diamond-II upgrade. Full Article text
model Modes and model building in SHELXE By journals.iucr.org Published On :: 2024-01-01 Density modification is a standard step to provide a route for routine structure solution by any experimental phasing method, with single-wavelength or multi-wavelength anomalous diffraction being the most popular methods, as well as to extend fragments or incomplete models into a full solution. The effect of density modification on the starting maps from either source is illustrated in the case of SHELXE. The different modes in which the program can run are reviewed; these include less well known uses such as reading external phase values and weights or phase distributions encoded in Hendrickson–Lattman coefficients. Typically in SHELXE, initial phases are calculated from experimental data, from a partial model or map, or from a combination of both sources. The initial phase set is improved and extended by density modification and, if the resolution of the data and the type of structure permits, polyalanine tracing. As a feature to systematically eliminate model bias from phases derived from predicted models, the trace can be set to exclude the area occupied by the starting model. The trace now includes an extension into the gamma position or hydrophobic and aromatic side chains if a sequence is provided, which is performed in every tracing cycle. Once a correlation coefficient of over 30% between the structure factors calculated from such a trace and the native data indicates that the structure has been solved, the sequence is docked in all model-building cycles and side chains are fitted if the map supports it. The extensions to the tracing algorithm brought in to provide a complete model are discussed. The improvement in phasing performance is assessed using a set of tests. Full Article text
model Structural determination and modeling of ciliary microtubules By journals.iucr.org Published On :: 2024-03-07 The axoneme, a microtubule-based array at the center of every cilium, has been the subject of structural investigations for decades, but only recent advances in cryo-EM and cryo-ET have allowed a molecular-level interpretation of the entire complex to be achieved. The unique properties of the nine doublet microtubules and central pair of singlet microtubules that form the axoneme, including the highly decorated tubulin lattice and the docking of massive axonemal complexes, provide opportunities and challenges for sample preparation, 3D reconstruction and atomic modeling. Here, the approaches used for cryo-EM and cryo-ET of axonemes are reviewed, while highlighting the unique opportunities provided by the latest generation of AI-guided tools that are transforming structural biology. Full Article text
model Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase By journals.iucr.org Published On :: 2024-03-21 Lanthanide ions have ideal chemical properties for catalysis, such as hard Lewis acidity, fast ligand-exchange kinetics, high coordination-number preferences and low geometric requirements for coordination. As a result, many small-molecule lanthanide catalysts have been described in the literature. Yet, despite the ability of enzymes to catalyse highly stereoselective reactions under gentle conditions, very few lanthanoenzymes have been investigated. In this work, the mononuclear binding of europium(III) and gadolinium(III) to the active site of a mutant of the model enzyme phosphotriesterase are described using X-ray crystallography at 1.78 and 1.61 Å resolution, respectively. It is also shown that despite coordinating a single non-natural metal cation, the PTE-R18 mutant is still able to maintain esterase activity. Full Article text
model The success rate of processed predicted models in molecular replacement: implications for experimental phasing in the AlphaFold era By journals.iucr.org Published On :: 2024-10-03 The availability of highly accurate protein structure predictions from AlphaFold2 (AF2) and similar tools has hugely expanded the applicability of molecular replacement (MR) for crystal structure solution. Many structures can be solved routinely using raw models, structures processed to remove unreliable parts or models split into distinct structural units. There is therefore an open question around how many and which cases still require experimental phasing methods such as single-wavelength anomalous diffraction (SAD). Here, this question is addressed using a large set of PDB depositions that were solved by SAD. A large majority (87%) could be solved using unedited or minimally edited AF2 predictions. A further 18 (4%) yield straightforwardly to MR after splitting of the AF2 prediction using Slice'N'Dice, although different splitting methods succeeded on slightly different sets of cases. It is also found that further unique targets can be solved by alternative modelling approaches such as ESMFold (four cases), alternative MR approaches such as ARCIMBOLDO and AMPLE (two cases each), and multimeric model building with AlphaFold-Multimer or UniFold (three cases). Ultimately, only 12 cases, or 3% of the SAD-phased set, did not yield to any form of MR tested here, offering valuable hints as to the number and the characteristics of cases where experimental phasing remains essential for macromolecular structure solution. Full Article text