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This work presents a 3D off-lattice coarse-grained Monte Carlo (CGMC) approach to simulate the nucleation of alkaline aluminosilicate gels, their nanostructure particle size, and their pore size distribution. In this model, four monomer species are coarse-grained with different particle sizes. The novelty is extending the previous on-lattice approach from White et al. (2012 and 2020) by implementing a full off-lattice numerical implementation to consider tetrahedral geometrical constraints when aggregating the particles into clusters. Aggregation of the dissolved silicate and aluminate monomers was simulated until reaching the equilibrium condition of 16.46% and 17.04% in particle number, respectively. The cluster size formation was analyzed as a function of iteration step evolution. The obtained equilibrated nano-structure was digitized to obtain the pore size distribution and this was compared with the on-lattice CGMC and measurement results from White et al. The observed difference highlighted the importance of the developed off-lattice CGMC approach to better describe the nanostructure of aluminosilicate gels. [ABSTRACT FROM AUTHOR]

This paper proposes a conceptual formulation for predicting and controlling the compressive strength of Recycled Aggregate Concrete (RAC) mixtures, by explicitly taking into account the specific features of Recycled Concrete Aggregates (RCAs). In fact, since RCAs are significantly more porous than Natural Aggregates (NAs), the mix design rules commonly employed for ordinary structural concrete cannot be applied as such for RACs. Therefore, the formulation proposed herein is intended at generalising the aforementioned rules with the aim to take into account the higher porosity of RCAs. Although being a mainly conceptual methodology, the proposed formulation is supported by a wide set of experimental results: they unveil the influence of several aspects and parameters (such as source and processing procedures of RCAs, aggregate replacement ratio, water-to-cement ratio, water absorption capacity and initial moisture condition of aggregates) on the resulting compressive strength of RAC. Finally, the proposed mix design methodology demonstrates that the resulting compressive strength of RACs can be predicted by taking into account only one parameter (i.e., water absorption capacity) identifying the “quality” of RCAs. Further generalisations intended at controlling other physical and mechanical parameters of RAC are among the future development of this research. [ABSTRACT FROM AUTHOR]

• A study is performed to find the material setup that maximizes the efficiency of a solar collector. • Numerical simulations along a Typical Meteorological Year in different locations are performed. • Amount, distribution, and melting temperature of Phase Change Materials are important factors. • A smart inclusion of Phase Change Materials improves the performance of massive solar collectors. A cement-based device that can meet, partially or completely, the heating loads of a building by absorbing the solar radiation and converting it into thermal energy can be defined as a Massive Solar-Thermal Collector. The absorbing material for the incoming radiation is made of a cementitious composite, generally concrete, and flowing water inside tubes acts as a heat transfer medium. For an optimized performance, during periods of solar radiation, the device has to efficiently conduct the heat flow from the absorbing surface of the collector and transfer this heat energy to the water. Then, when the radiation is reduced or became null, the device should retain as much as possible the heat energy, reducing the heat that is escaping the collector and consequently the losses to the surrounding environment. In this work, by performing a parametric analysis, different absorbing materials are tested with the objective of finding the best configuration that maximizes the energy efficiency of the collector. Cementitious materials, in combination with Phase Change Materials with distinct melting (and solidification) temperatures, are selected as candidate absorbing materials. The weather variables of an entire year and for two different locations are considered to evaluate the behavior of these devices in opposite climates. After numerical simulations, in where an enthalpy-based finite element formulation is used to solve the physical problem, the obtained results allow to conclude that the inclusion of Phase Change Materials within the absorber material of the collectors, if it is done in a correct way, can improve the energy performance of these devices. In this study, 34 °C and 53 °C are chosen as the most appropriated melting temperatures, which conduct to considerable improvements in the achieved performances, and in both warm and cold climates. [ABSTRACT FROM AUTHOR]

Concrete structures are increasingly becoming exposed to organic acid attack conditions, such as those found in agriculture and food-related industries. This paper aims to experimentally verify the thermodynamic modeling of cement pastes under acetic acid attack. For this, a modeling approach implemented in IPHREEQC via Matlab is described, and results are compared with measured pH and compositions of equilibrated solutions (MP-AES) as well as unreacted/precipitated solids (XRF, XRD and STA) for a wide range of acid concentrations. The 11% replacement of cement by silica fume (SF) led to a 60 or 70% reduction (measured or modeled, respectively) of Portlandite content in the hardened cement paste due to the pozzolanic reaction resulting in higher content of CSH phases, which has effects on the progression of dissolution processes and a resulting pH with increased acid concentrations. Considering that no fitting parameter was used, the model predictions showed good agreement with measured values of pH, dissolved ion concentrations and composition of the remaining (degraded) solids overall. The discrepancies here were more pronounced at very high acid concentrations (equilibrium pH < ~4), i.e., after the full dissolution of hydrate phases due to limitations in the model used to describe Al-, Si- and Fe-gel phases and/or identified experimental challenges in precipitation of calcium and aluminum acetate hydrates. [ABSTRACT FROM AUTHOR]

International project PoroPCM involves partners from Germany, Czech Republic, Spain and Japan with the objective to develop new multifunctional Phase Change Materials modified porous cementitious nanocomposite (PoroPCM). Such material can be utilized for storing heat energy in the insulation layer of buildings compared to commonly used insulation materials since the phase change increases heat capacity. This enhanced feature reduces the amount of energy necessary for running the heating/cooling system. For the testing of the newly developed phase change cementitious composite a demonstration wall will be developed and tested for its thermal as well as mechanical performance. The topic of the paper is the description of the properties of the new phase change cementitious nanocomposite. The main emphasis of the paper is the description of the demonstration wall behaviour under typical environmental conditions. The wall design is supported by numerical simulation of the wall physical parameters. The numerical modelling involves the definition of suitable numerical models for the simulation of the thermal properties of the new phase change nanocomposite. The numerical model is then used to demonstrate the performance of the wall layer design. The presented pilot results show efficiency increase of the insulation material in the range 15-70 %. Also modelling of wind resistance of the layered structure is included. The developed wall design and PoroPCM material will be tested and verified by a large scale test in the final year of the project. [ABSTRACT FROM AUTHOR]

Cement clinkers containing mainly belite (β-C2S as a model crystal), replacing alite, offer a promising solution for the development of environmentally friendly solutions to reduce the high level of CO2 emissions in the production of Portland cement. However, the much lower reactivity of belite compared to alite limits the widespread use of belite cements. Therefore, this work presents a fundamental atomistic computational approach for comprehending and quantifying the mesoscopic forward dissolution rate of β-C2S, applied to two reactive crystal facets of (100) and ( 1 ¯ 00 ). For this, an atomistic kinetic Monte Carlo (KMC) upscaling approach for cement clinker was developed. It was based on the calculated activation energies (ΔG*) under far-from-equilibrium conditions obtained by a molecular dynamic simulation using the combined approach of ReaxFF and metadynamics, as described in the Part 1 paper in this Special Issue. Thus, the individual atomistic dissolution rates were used as input parameters for implementing the KMC upscaling approach coded in MATLAB to study the dissolution time and morphology changes at the mesoscopic scale. Four different cases and 21 event scenarios were considered for the dissolution of calcium atoms (Ca) and silicate monomers. For this purpose, the (100) and ( 1 ¯ 00 ) facets of a β-C2S crystal were considered using periodic boundary conditions (PBCs). In order to demonstrate the statistical nature of the KMC approach, 40 numerical realizations were presented. The major findings showed a striking layer-by-layer dissolution mechanism in the case of an ideal crystal, where the total dissolution rate was limited by the much slower dissolution of the silicate monomer compared to Ca. The introduction of crystal defects, namely cutting the edges at two crystal boundaries, increased the overall average dissolution rate by a factor of 519. [ABSTRACT FROM AUTHOR]

Management of patients with chronic lymphocytic leukemia (CLL) is changing due to considerable advances in the therapeutic armamentarium, and new therapies will possibly continue to emerge in the near future. Therefore, the CLL working group of the Dutch-Belgium Haemato-Oncology Cooperative Group for Adults in the Netherlands (HOVON) necessitated revising the Dutch CLL guidelines. The current guideline is based on the expert opinion of the HOVON CLL working group members and focusses on well-designed clinical trials taking into account efficacy with special emphasis on toxicity, treatment duration and treatment intensity. This article provides recommendations on diagnosis, treatment strategies in front-line and relapsed setting and provides supportive care measurements during novel-based therapies as well as for infectious CLL-related complications. The recommendations presented here are intended to provide guidance for the management of CLL patients in the Netherlands, and take into account the availability of treatment strategies at the time of this publication. [ABSTRACT FROM AUTHOR]

A major concern in the modern cement industry is considering how to minimize the CO2 footprint. Thus, cements based on belite, an impure clinker mineral (CaO)2SiO2 (C2S in cement chemistry notation), which forms at lower temperatures, is a promising solution to develop eco-efficient and sustainable cement-based materials, used in enormous quantities. The slow reactivity of belite plays a critical role, but the dissolution mechanisms and kinetic rates at the atomistic scale are not known completely yet. This work aims to understand the dissolution behavior of different facets of β-C2S providing missing input data and an upscaling modeling approach to connect the atomistic scale to the sub-micro scale. First, a combined ReaxFF and metadynamics-based molecular dynamic approach are applied to compute the atomistic forward reaction rates (RD) of calcium (Ca) and silicate species of (100) facet of β-C2S considering the influence of crystal facets and crystal defects. To minimize the huge number of atomistic events possibilities, a generalized approach is proposed, based on the systematic removal of nearest neighbors' crystal sites. This enables us to tabulate data on the forward reaction rates of most important atomistic scenarios, which are needed as input parameters to implement the Kinetic Monte Carlo (KMC) computational upscaling approach. The reason for the higher reactivity of the (100) facet compared to the (010) is explained. [ABSTRACT FROM AUTHOR]

In the quest for environmentally sustainable binders within the construction industry, metakaolin (MK) has emerged as a highly promising material. Its reactivity and hardening performance encompass a wide range of applications, spanning from lime to cement-based materials. This performance is primarily underpinned by the pozzolanic reaction with calcium hydroxide (CH), leading to the formation of various calcium aluminate silicate hydrates. The intricacies of the hydration kinetics and resultant reaction products hinge on several factors woven into the specifics of the binder type. This study investigates the influence of CH availability, explored through initially mixed MK/CH weight ratios of 0.33 and 1.0. Furthermore, the study examines the impact of introducing alkali hydroxides (KOH and NaOH) and/or sulfates (K 2 SO 4 and Na 2 SO 4) on the pozzolanic reactions. Short-term analysis employed inductively coupled plasma optical emission spectrometry (ICP-OES), and pH measurements for pore solution as well as isothermal calorimetry, and in-situ X-ray diffraction (XRD) on paste samples. Long-term investigations extended to 245 days at 40 °C, incorporating XRD, thermogravimetric (TGA) and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM/EDX). Results provide insights into the kinetics of phase assemblage and compositions of C-A-S-H gels, highlighting the transformation of metastable C 2 ASH 8 and C 4 AH 13 to stable Si-rich hydrogarnet phases, incorporating sulfate, under excess CH conditions. Higher MK/CH enriches Si/Ca, Al/Ca, enhancing C-A-S-H gels, while KOH addition further boosts Al/Ca ratios. [Display omitted] • High OH-/CH weight ratio (0.0307) promotes formation of alkaline aluminosilicates. • For higher MK/CH (1.0), sulfate addition slows pozzolanic reactions. • Excess CH transforms C 4 AH 13 and C 2 ASH 8 into hydrogarnet phases. • Sulfate localizes in aluminum-rich phases: AFt, AFm and hydrogarnet. • Higher MK/CH boosts Si/Ca, Al/Ca, enhancing CASH phases, while KOH increases Al/Ca. [ABSTRACT FROM AUTHOR]

This study focusses on the bond between asphalt and concrete. The bond is a decisive factor for the transfer of traffic loads. A lack of bond between the layers can quickly reduce the load-bearing behavior and thus lead to pavement failure. In the literature, the bond between asphalt pavements and concrete substrates is usually analyzed using mechanical test methods. With mechanical test methods, the effects of interlocking, glue adhesion and friction, which have an effect at the layer boundary, are not considered individually. Based on previous findings, the aim of this study is to carry out a precise analysis of the bonding at the layer interface between concrete and asphalt using bitumen emulsion by means of measurements with a high-resolution X-ray computer tomography (CT). To determine the effect of the surface texture of the substrate, the investigations were carried out on milled and smooth surface textures. In addition to the variation of the substrate profiles, the influence of the application quantity of the bitumen emulsions C40 B5-S and C60 BP4-S was analyzed by spraying quantities of 90 g/m² and 180 g/m² bitumen after breaking. A newly developed method was used to determine the effective degree of gluing at the layer boundary, which allowed the bonding efficiency to be determined. The results of the calculated degree of gluing for the individual variants show that the highest degree of gluing of 61.94% is achieved with the smooth texture variant and high application quantity of bitumen emulsion. The lowest degree of gluing of 17.01% was achieved with the milled texture variant without the application of bitumen emulsion. Overall, the results showed that the degree of gluing was increased for both surface textures by applying the bitumen emulsion. Compared to the smooth texture, the milled textures exhibit a lower degree of gluing for both bitumen quantities, which could be explained by the distribution of the bitumen emulsions on the substrate profiles. • In this study, the influence of bitumen emulsion at the layer bond between concrete and asphalt is analyzed using an imaging method. • A method for analyzing the degree of gluing is developed using CT images. • By developing FEM models from CT images, the contact surface between the individual materials at the layer boundary can be analyzed. • The investigations are carried out on different substrate profiles with different bitumen emulsions and application quantities. [ABSTRACT FROM AUTHOR]

As sustainability is becoming a fundamental requirement for all modern industrial activities, upcoming environmental research efforts should be intended at both enhancing the efficiency in the use of raw materials and reducing the carbon footprint. The present research activity has been launched at the Federal University of Rio de Janeiro (UFRJ, Brazil) for demonstrating the feasibility of “ecological concrete” for structural use, characterised by a significant replacement of natural aggregates with recycled ones, which are produced from processing Construction Demolition Waste (CDW). Particularly, this work explores alternative processing procedures and investigates their influence on the relevant physical and mechanical properties of the resulting aggregates and concrete mixtures. Therefore, particle size distribution, bulk density attached mortar content as well as the associated water absorption capacity of recycled aggregates were monitored to scrutinise the effect of such processing procedures. Subsequently, a series of concrete batches was produced for evaluating the influence that alternative processing procedures for recycled aggregates have on the main mechanical performance in a fresh and hardened state. Results reported in this paper show the feasibility of “autogenous cleaning”, which removes surface impurities and reduces particle heterogeneities, usually characterising the morphology of a recycled aggregate matrix. It shows that the considered cleaning procedure significantly reduces the gap between the performance of recycled aggregate concrete (RAC) and ordinary ones, both in terms of workability at the fresh state and strength at the hardened state of concrete mixtures. [ABSTRACT FROM AUTHOR]

Summary: Studies on the conditional life expectancy of patients with chronic myeloid leukaemia (CML) are lacking. Using data from the Netherlands Cancer Registry, we examined the life expectancy of patients with CML in the Netherlands diagnosed during 1989–2018. As of the early 2010s, the life expectancy of patients with CML who survived several years after diagnosis came narrowly close to the general population's life expectancy, regardless of age. This finding can essentially be ascribed to the introduction and broader application of tyrosine kinase inhibitors (TKIs) and provide optimism to patients with CML who can look forward to a near‐normal life expectancy in a modern TKI era. [ABSTRACT FROM AUTHOR]

Summary: Contemporary diagnosed WM patients, compared to the general population, continue to experience excess mortality regardless of having survived up to 15 years post‐diagnosis. This gradual increase in excess mortality might result from the incurable nature of this disease characterized by multiple relapses throughout the disease course with limited efficacious treatment options in the released/refractory setting. [ABSTRACT FROM AUTHOR]

Introduction: Leukolysis-related pseudohyperkalemia due to preanalytical procedures may lead to erroneous (or absence of) treatment based on an invalid lab test result. We aimed to obtain a leukocyte threshold above which leukolysis-related pseudohyperkalemia becomes clinical relevant. Secondly, temporal dynamics of treatment-induced leukocyte decrease were studied to allow tailored implementation of laboratory information system (LIS) decision rules based on the leukocyte threshold to avoid leukolysis-related pseudohyperkalemia. Materials and methods: Potassium results of AU5811 routine chemistry (Beckman Coulter, Brea, California, USA) and iStat point of care (POC) (Abbott Diagnostics, Chicago, Illinois, USA) analysers were compared, the latter method being insensitive to leukolysis caused by pre-analytical procedures. Potassium results were combined with leukocyte counts obtained using a Cell-Dyn Sapphire haematology analyser (Abbott Diagnostics, Santa Clara, California, USA), resulting in 132 unique data triplets. Regression analysis was performed to establish a leukocyte threshold. The Reference Change Value (√2 x Z x √(CVa 2 + CVi 2)) was used to calculate maximum allowable difference between routine analyser and POC potassium results (deltamax + 0.58 mmol/L). Temporal analysis on the treatment-induced leukocyte decrease was performed by plotting leukocyte counts in time for all patients above the threshold leukocyte count (N = 41). Results: Established leukocyte threshold was 63 x109/L. Temporal analysis showed leukocyte counts below the threshold within 8 days of treatment for all patients. Conclusions: Based on performed analyses we were able to implement LIS decision rules to reduce pseudohyperkalemia due to preanalytical procedures. This implementation can contribute to a reduction in erroneous (or absence of) treatments in the clinic. [ABSTRACT FROM AUTHOR]

Summary: It is unclear how treatment advances impacted the population‐level survival of patients with lymphoplasmacytic lymphoma/Waldenström macroglobulinaemia (LPL/WM). Therefore, we assessed trends in first‐line therapy and relative survival (RS) among patients with LPL/WM diagnosed in the Netherlands between 1989 and 2018 (N = 6232; median age, 70 years; 61% males) using data from the nationwide Netherlands Cancer Registry. Patients were grouped into three age groups (<65, 66–75 and >75 years) and four calendar periods. Overall, treatment with anti‐neoplastic agents within 1 year post‐diagnosis gradually decreased over time, following a broader application of an initial watch‐and‐wait approach. Approximately 40% of patients received anti‐neoplastic therapy during 2011–2018. Furthermore, use of chemotherapy alone decreased over time, following an increased application of chemoimmunotherapy. Detailed data among 1596 patients diagnosed during 2014–2018 revealed that dexamethasone‐rituximab‐cyclophosphamide was the most frequently applied regimen; its use increased from 14% to 39% between 2014 and 2018. The 5‐year RS increased significantly over time, particularly since the introduction of rituximab in the early–mid 2000s. The 5‐year RS during 1989–1995 was 75%, 65%, and 46% across the age groups compared to 93%, 85%, and 79% during 2011–2018. However, the survival improvement was less pronounced after 2011. Collectively, the impressive survival improvement may be accounted for by broader application of rituximab‐containing therapy. The lack of survival improvement in the post‐rituximab era warrants studies across multiple lines of therapy to further improve survival in LPL/WM. [ABSTRACT FROM AUTHOR]

• Humidity variations barely altered the mechanical properties of jute fiber. • Sisal fiber presented better adhesion under the proposed humidity levels. • Humidity effect on fibers can be assessed by their cellulose crystallinity index. • Sisal fiber presented better adhesion under the proposed humidity levels. The aim of this study is to determine how the mechanical behavior of natural fibers is affected by the environmental and internal relative humidity, especially on the fiber-matrix interface. For that, curauá, jute and sisal fibers were selected. The experimental program commenced determining the fibers' mechanical properties under tensile stresses, followed by X-ray diffraction measurement, thermogravimetric analysis, infra-red spectroscopy and dynamic water vapor sorption analysis, as well as a microscopic examination of fibers' rupture under tensile stresses. In addition, a 2D finite element analysis was carried out to assist the interpretation of the mechanical behavior of the pull-out tests. The results indicate that the absorption capacity of each fiber can be correlated to the amount of hemicellulose and cellulose cristalinity, and the fibers' swelling process was influenced by each microstructure and hemicellulose content. Results from the mechanical tests showed a strength enhancement when the fibers were submitted to low levels of relative humidity, while a drastic decrease in strength was observed along with higher levels. The development of finite element models helped understanding the geometric particularities of each fibers. From the results it is possible to state a unique correlation between each fiber and its respective moisture content. It is believed that this data can help the use of such fibers as reinforcement of cement-based systems and their durability under a wider range of relative humidity levels. [ABSTRACT FROM AUTHOR]

This study investigates the effects of carbon nanomaterials (CN), specifically nanohorns (CNHs) and nanotubes (MWCNTs), on geopolymer carbon nanocomposites (GCN). The research investigates 0.2%, 0.5% and 1.0% of CN and two curing conditions to understand their impact on the microstructure, morphology, and performance of GCN. Analytical techniques such as MIP, TGA-DTA, FTIR, Raman, SEM, and EDX are utilized to analyze the nanoadditives in alkali-silicate suspensions, fresh and hardened GCN. Ultrasonication is important for achieving better dispersion of MWCNTs, while CNH disperses more easily. Both MWCNTs and CNHs enhance flexural strength by up to around 58% and 44%, respectively, and reduce crack formation compared to the pristine geopolymer. Hydrothermal curing, despite leading to higher porosity, improves flexural strength due to increased geopolymerisation. The formation of a cross-polymerized network with oxo bonds and the release of water during the process contribute to increased strength and porosity, respectively. • Exploring carbon nanohorns (CNH) and multi-walled carbon nanotubes (MWCNT) as additives in geopolymers. • Highest flexural strength achieved with 0.5% MWCNTs at 60 °C curing. • Curing at 60 °C (vs. 20 °C) enhances the geopolymer network reticulation and CN-matrix interface. • Hydrothermal curing at 60 °C (vs. 20 °C) increases porosity but improves flexural strength. • Improvements through enhanced geopolymerisation and reduced bound water content. [ABSTRACT FROM AUTHOR]

The reactivity of supplementary cementitious materials (SCMs) is a key issue in the sustainability of cement-based materials. In this study, the effect of drying with isopropanol and acetone as well as the interpretation of thermogravimetric data on the results of an R3 test for evaluation of the SCM pozzolanic reaction were investigated. R3 samples consisting of calcium hydroxide, potassium hydroxide, potassium sulphate, water, and SCM were prepared. Besides silica fume, three different types of calcined clays were investigated as SCMs. These were a relatively pure metakaolin, a quartz-rich metakaolin, and a mixed calcined clay, where the amount of other types of clays was two times higher than the kaolinite content. Thermogravimetric analysis (TGA) was carried out on seven-day-old samples dried with isopropanol and acetone to stop the reaction processes. Additional calorimetric measurement of the R3 samples was carried out for evaluation of the reaction kinetics. Results show that drying with isopropanol is more suitable for analysis of R3 samples compared to acetone. The use of acetone results in increased carbonation and TGA mass losses until 40 (isothermal drying for 30 min) and 105 °C (ramp heating), indicating that parts of the acetone remain in the sample, causing problems in the interpretation of TGA data. A mass balance approach was proposed to calculate calcium hydroxide consumption from TGA data, while also considering the amount of carbonates in the sample and TGA data corrections of original SCMs. With this approach, an improvement of the linear correlation of TGA results and heat release from calorimetric measurement was achieved. [ABSTRACT FROM AUTHOR]

Aim: To address alarm fatigue, a new alarm management system which ensures a quicker delivery of alarms together with waveform information on nurses' handheld devices was implemented and settings optimised. The effects of this clinical implementation on alarm rates and nurses' responsiveness were measured in an 18-bed single family rooms neonatal intensive care unit (NICU).Methods: The technical implementation of the alarm management system was followed by clinical workflow optimisation. Alarms and vital parameters from October 2017 to December 2019 were analysed. Measures included monitoring alarms, nurses' response to alarms and time spent by patients in different saturation ranges. A survey among nurses was performed to evaluate changes in alarm rate and use of protocols.Results: A significant reduction of monitoring alarms per patient days was detected after the optimisation phase (in particular for SpO2 ≤ 80%, P < .001). More time was spent by infants within the optimal peripheral oxygen saturation range (88% < SpO2 < 95%, P < .001). Results from the surveys showed that false alarms are less likely to cause an inappropriate response after the optimisation phase.Conclusion: The implementation of an alarm management solution and an optimisation programme can safely reduce the alarm burden inside of the NICU environment. [ABSTRACT FROM AUTHOR]

Bacteria near-universally contain a cell wall sacculus of murein (peptidoglycan), the synthesis of which has been intensively studied for over 50 years. In striking contrast, archaeal species possess a variety of other cell wall types, none of them closely resembling murein. Interestingly though, one type of archaeal cell wall termed pseudomurein found in the methanogen orders Methanobacteriales and Methanopyrales is a structural analogue of murein in that it contains a glycan backbone that is cross-linked by a L-amino acid peptide. Here, we present taxonomic distribution, gene cluster and phylogenetic analyses that confirm orthologues of 13 bacterial murein biosynthesis enzymes in pseudomurein-containing methanogens, most of which are distantly related to their bacterial counterparts. We also present the first structure of an archaeal pseudomurein peptide ligase from Methanothermus fervidus DSM1088 (Mfer336) to a resolution of 2.5 Å and show that it possesses a similar overall tertiary three domain structure to bacterial MurC and MurD type murein peptide ligases. Taken together the data strongly indicate that murein and pseudomurein biosynthetic pathways share a common evolutionary history. [ABSTRACT FROM AUTHOR]

Rituximab-containing chemotherapy remains a viable frontline treatment option for patients with chronic lymphocytic leukemia (CLL) in the era of novel agents. However, its effectiveness in the second-line setting-in relation to previous rituximab exposure in first-line-has hardly been evaluated in a population-based setting. Therefore, in this comprehensive, population-based study, we assessed the impact of first-line treatment with rituximab-containing chemotherapy on the effectiveness of second-line treatment with rituximab-containing chemotherapy. We selected all 1735 patients diagnosed with CLL between 2004 and 2010 from the Dutch Population-based HAematological Registry for Observational Studies (PHAROS). The primary endpoint was treatment-free survival (TFS). First- and second-line treatment was instituted in 663 (38%) and 284 (43%) patients, respectively. In first line, the median TFS was 19.7 and 67.1 months for chemotherapy without (n = 445; 67%) and with rituximab (n = 218; 33%), respectively (adjusted hazard ratio [HRadjusted], 0.83; P = 0.031). The median TFS among recipients of second-line chemotherapy without (n = 165; 57%) and with rituximab (n = 121; 42%) was 15.0 and 15.3 months, respectively (HRadjusted, 0.93; P = 0.614). Of the 121 patients who received rituximab-containing chemotherapy in second-line, 89 (74%) and 32 (26%) received first-line chemotherapy without and with rituximab, respectively. Median TFS in these two treatment groups was 18.3 and 12.1 months, respectively (HRadjusted, 1.71; P = 0.060). Collectively, in this population-based study, the effectiveness of first-line treatment with rituximab-containing chemotherapy was less pronounced in second-line treatment. The hampered effectiveness of rituximab-containing chemotherapy in second-line could not be explained by previous rituximab exposure. [ABSTRACT FROM AUTHOR]

Survival continues to increase in chronic lymphocytic leukaemia: a population-based analysis among 20 468 patients diagnosed in the Netherlands between 1989 and 2016 Keywords: chronic lymphocytic leukaemia; survival; cancer epidemiology; population-based; registry EN chronic lymphocytic leukaemia survival cancer epidemiology population-based registry 574 577 4 04/30/20 20200501 NES 200501 Chronic lymphocytic leukaemia (CLL) is the most frequently diagnosed and prevalent form of leukaemia among adults in Western countries (Brenner I et al. i , [2]; Kristinsson I et al. i , [6]; Van den Broek I et al. i , [9]). Relative survival (RS) is the overall survival (OS) in the patient cohort divided by the expected OS of an equivalent group from the general population, matched to the patient group by age, sex, and period (Dickman & Adami, [3]). Furthermore, the incidence of CLL might be overestimated, because most patients diagnosed with Rai stage 0 or I before 2008 can be reclassified into monoclonal B-cell leukaemia according to the most recent diagnostic criteria (Hallek I et al. i , [5]). [Extracted from the article]

Background: Older people have the highest incidence of melanoma and the population in most Western countries is ageing. We evaluated how the gap in incidence and survival between younger and older patients has developed during the past decades. Material and methods: All patients diagnosed with cutaneous melanoma between 1989 and 2015 (n = 84,827) were identified from the Netherlands Cancer Registry. Elderly were defined as aged ≥70 years. Differences in patient and tumor characteristics were described, age-specific incidence rates were calculated, and relative survival (RS) and multivariable analyses estimating the Relative Excess Rate of dying (RER) were conducted Results: In older men, the melanoma age-standardized incidence increased from 18 to 103/100,000 person-years (py) between 1989 and 2015 and in older women from 23 to 70/100,000 py. In younger men and women, it increased from 8 to 21 and from 13 to 28/100,000 py, respectively. Median Breslow thickness declined from 1.8 to 1.1 mm and from 1.6 to 1.1 mm in older men and women (2003 versus 2015), and from 1.1 to 0.9 mm and 0.9 to 0.8 mm in younger men and women. In older men, 5-year RS increased from 67% (95% CI: 63%–72%) in 1989–1997 to 85% (95% CI: 83%–87%) in 2007–2015 and in older women from 81% (95% CI: 78%–85%) to 89% (95% CI: 87%–91%). In younger men and women, RS increased from 82% (95% CI: 81%–83%) to 90% (95% CI: 90%–91%) and from 92% (95% CI: 92%–93%) to 96% (95% CI: 95%–96%). After case-mix correction , older men and women no longer showed an improved survival over time (RER 2010–2015 versus 2003–2009: 0.97; 95% CI: 0.81–1.16 and 0.95; 95% CI: 0.79–1.16). Whereas in younger men and women survival remained improved (RER 0.75; 95% CI: 0.67–0.83 and 0.77; 95%CI: 0.67–0.89). Conclusion: The gap in melanoma incidence between younger and older people is increasing due to a strong increase in incidence in older adults. Disparities in survival are declining, related to a narrowing gap in Breslow thickness. [ABSTRACT FROM AUTHOR]

Objectives: Assessment of "real‐world" treatment strategies and outcome in Dutch polycythemia vera (PV) patients. Methods: Retrospective chart review in 150 patients with PV (WHO 2008 diagnostic criteria) from 10 major non‐academic hospitals in the Netherlands. Results: Patients (median age 64 years, 49% male) frequently had cardiovascular risk factors (56%) and prior vascular events (31%). About 70% of patients were high‐risk, based on ELN criteria. However, the majority of patients were treated with phlebotomies alone (55%). Cytoreduction with hydroxyurea (HU) was received by 44% as part of their initial therapy, with or without phlebotomies. The time to achieve the 45% hematocrit target was shortest in patients treated with phlebotomies with or without HU (125 ± 99 and 197 ± 249 days, respectively) compared to patients treated with only HU (232 ± 216 days). Leukocyte and platelet levels were lower in HU‐treated patients, and ELN response targets were more often reached. During the median follow‐up period of 4.1 years, 14 patients (9%) suffered a thrombotic vascular event. Conclusions: In Dutch clinical practice, there is major clinical variation in treatment strategies for PV. Phlebotomizing patients shorten the time to achieve hematocrit control, while HU better controls platelet and leukocyte levels. The thrombotic vascular event rate remains clinically significant. [ABSTRACT FROM AUTHOR]

The article discusses the creation of a national program for Hodgkin lymphoma (HL) survivorship care in the Netherlands as of August 2019. Topics covered include the steps in screening of late adverse events like cardiovascular disease, thyroid dysfunction, and reduced fertility, the development of guidelines for the most frequent ones, and the flow of data from and to various sources and their use. Also noted are the BETER clinics' coordination with the patients' general practitioners (GP).

A multiscale framework for thermo-mechanical analysis with phase transformations is proposed in this work. The formulation covers those cases including coupled constitutive equations for simulating thermo-mechanical processes considering phase transformation phenomena. The general case of temperature- and phase-dependent procedures, involving nonlinear plasticity concepts, is considered as main framework in order to formulate the material dissipation at both micro- and macroscopic level of observation. Thermodynamic consistency conditions for computational up/downscaling between micro- and macroscales are presented, with special focus on phase transformation phenomena, for both the mechanical and thermal homogenization. Classical Coleman-Gurtin thermodynamics is employed at the microscale, whereas an extended framework is considered at the macroscale due to the temperature gradient dependency of the macro stress. The multiscale procedure is based on a variational approach largely discussed in the literature. The overall coupled process at both micro- and macroscopic scales, averaging criteria, thermal, mechanical and phase change constitutive expressions, as well as the corresponding homogenization rules, are discussed and derived in detail. [ABSTRACT FROM AUTHOR]

This paper proposes a mesoscale approach for simulating moisture transport by capillary action in partly-saturated porous cementitious composites. The modeling approach explicitly accounts for moisture transport through a mesostructure composed of coarse aggregates, surrounding cementitious mortar and interfaces. These latter, namely interface transition zones (ITZs), allow to describe the interaction between aggregates and mortar, and may cause an alternative path for the internal moisture movements. Basic morphology effects of the ITZs are simulated using a ribbon approach. Random spatial distribution of cement particles are stacked in the meso-geometry. Aggregate particles are introduced as randomly perturbed polygons and the moisture transport is modeled as a diffusion problem and solved by means of the finite element method. The proposed constitutive models are based on a proper description of the permeability and pore size distribution which strongly affect the local moisture content. Numerical results at both macro- and mesoscale levels demonstrate the soundness and capability of the proposed approach. The integrated modeling results actually demonstrate the potential of the mesoscale approach and shows the role of the ITZs as an internal interconnected network. [ABSTRACT FROM AUTHOR]

Technologies based on phase change materials (PCMs) are promising solutions to reduce energy consumption in buildings and related greenhouse gas emissions. However, the performance of passive PCMs in buildings is highly dependent on the melting temperatures employed, as well as the climate where the building is located. Therefore, the present contribution describes an optimization-based method to design passive latent energy storage in buildings by using PCMs with different melting temperatures. To achieve this goal, a multi-objective genetic algorithm is coupled with the building energy models developed in EnergyPlus to find the best trade-off between annual heating and cooling loads. A small office is chosen as a case study to evaluate the energy performance of the buildings incorporating the proposed PCM approach. Three different PCM layers are added to the ceilings and the external and internal walls of the building, and their parametric models are developed in EnergyPlus to optimize the melting temperature and thickness of each PCM layer simultaneously. Moreover, a method to select climate-representative locations according to the ASHRAE 169-2020 climate classification and within the WMO Region VI (Europe) is proposed and applied, resulting in eight well-representative locations. An optimization-based design is carried out for each selected location and the performances of the optimized building designs are systematically compared to the ones of the baseline models. The optimization results achieved show that regardless of the climate zone analyzed, using several PCMs with different melting temperatures instead of a single one, is preferred. Moreover, the best performance of PCMs is attained in climate zones where both the heating and cooling loads are present. Thus, the highest saving regarding the annual total loads of 11.7% is achieved in zone 5A (Cold), while the lowest one of 2.3% is obtained in zone 1B (Very hot). [Display omitted] • Using PCMs with different melting temperatures in buildings is proposed. • A multi-objective optimization method to design the PCMs' properties is introduced. • Eight climate-representative locations in the WMO Region VI (Europe) are selected. • PCMs with different melting temperatures instead of a single one is preferred. • The best performance of PCMs is attained in climates where both loads are present. [ABSTRACT FROM AUTHOR]

Myelodysplastic syndromes (MDS) and chronic myelomonocytic leukemia (CMML) may be underreported in cancer registries such as the Netherlands Cancer Registry (NCR). Analysis of Dutch medical claims can complement NCR data on MDS and CMML. We analyzed data on 3681 MDS patients and 235 CMML patients aged ≥18 years with initial claims for MDS or CMML from the Dutch nationwide medical claims-based Diagnosis Treatment Combination Information System (DIS) between 2008 and 2010. Clinical information was available in the DIS. MDS and CMML were diagnosed without a bone marrow (BM) examination in almost half of the patients. The age-standardized incidence rate (ASR) per 100,000 in the cohort that underwent BM examinations compared with NCR data was 2.8 vs . 3.3 for MDS and 0.2 vs. 0.4 for CMML in 2008–2010. A conservative treatment approach was associated with increasing age and absence of BM examination in MDS ( p < 0.001 for both) and CMML patients ( p < 0.033 for both). In conclusion, the ASR of MDS in the cohort that underwent BM examinations was comparable with the NCR. The majority of elderly patients, either with or without BM examinations, received no therapy. Together, MDS and CMML may be misdiagnosed and inappropriately managed without a BM confirmation. [ABSTRACT FROM AUTHOR]

As survival of patients with chronic lymphocytic leukemia/small lymphocytic lymphoma (CLL/SLL) increases and the number of patients who live long rises, health-related quality of life (HRQoL) becomes a relevant endpoint. Few studies investigated this, mainly as a secondary endpoint in randomized clinical trials where patients with early stage CLL/SLL, and elderly/frail patients were underrepresented. The aim of our study was to assess HRQoL in a population-based setting, including these previously underrepresented patients. Out of 175 patients diagnosed with CLL/SLL between 2004 and 2011, 136 (78 %) returned the HRQoL questionnaire. The outcomes were compared to an age- and sex-matched norm population. Detailed data on stage and treatment were extracted from a population-based hematological registry (PHAROS). Patients ever treated for CLL/SLL reported significantly poorer HRQoL than the norm population ( p < 0.01 with large clinically important differences. Interestingly, no differences were observed between the norm population and patients under active surveillance. In contrast to our hypothesis, patients treated with chlorambucil reported the lowest HRQoL scores. Drastic, long-lasting negative effects of starting treatment on HRQoL cannot be excluded, whereas active surveillance does not seem to provoke worrying, anxiety, or depressive symptoms. Further elaborate research into the impact of starting therapy on HRQoL is needed, especially in patients that are underrepresented in most clinical trials, and thoroughly consider its results during revision of treatment guidelines. [ABSTRACT FROM AUTHOR]

Portlandite, as a most soluble cement hydration reaction product, affects mechanical and durability properties of cementitious materials. In the present work, an atomistic kinetic Monte Carlo (KMC) upscaling approach is implemented in MATLAB code in order to investigate the dissolution time and morphology changes of a hexagonal platelet portlandite crystal. First, the atomistic rate constants of individual Ca dissolution events are computed by a transition state theory equation based on inputs of the computed activation energies (ΔG*) obtained through the metadynamics computational method (Part 1 of paper). Four different facets (100 or 1 ¯ 00 , 010 or 0 1 ¯ 0, 1 ¯ 10 or 1 1 ¯ 0 , and 001 or 00 1 ¯ ) are considered, resulting in a total of 16 different atomistic event scenarios. Results of the upscaled KMC simulations demonstrate that dissolution process initially takes place from edges, sides, and facets of 010 or 0 1 ¯ 0 of the crystal morphology. The steady-state dissolution rate for the most reactive facets (010 or 0 1 ¯ 0 ) was computed to be 1.0443 mol/(s cm2); however, 0.0032 mol/(s cm2) for 1 ¯ 10 or 1 1 ¯ 0 , 2.672 × 10−7 mol/(s cm2) for 001 or 00 1 ¯ , and 0.31 × 10−16 mol/(s cm2) for 100 or 1 ¯ 00 were represented in a decreasing order for less reactive facets. Obtained upscaled dissolution rates between each facet resulted in a huge (16 orders of magnitude) difference, reflecting the importance of crystallographic orientation of the exposed facets. [ABSTRACT FROM AUTHOR]

The current contribution proposes a multi-scale bridging modeling approach for the dissolution of crystals to connect the atomistic scale to the (sub-) micro-scale. This is demonstrated in the example of dissolution of portlandite, as a relatively simple benchmarking example for cementitious materials. Moreover, dissolution kinetics is also important for other industrial processes, e.g., acid gas absorption and pH control. In this work, the biased molecular dynamics (metadynamics) coupled with reactive force field is employed to calculate the reaction path as a free energy surface of calcium dissolution at 298 K in water from the different crystal facets of portlandite. It is also explained why the reactivity of the (010), (100), and (1 1 ¯ 0) crystal facet is higher compared to the (001) facet. In addition, the influence of neighboring Ca crystal sites arrangements on the atomistic dissolution rates is explained as necessary scenarios for the upscaling. The calculated rate constants of all atomistic reaction scenarios provided an input catalog ready to be used in an upscaling kinetic Monte Carlo (KMC) approach. [ABSTRACT FROM AUTHOR]

This study aims to increase the pozzolanic reactivity of metakaolin (MK) in Portland cement (PC) blends by adding additional calcium hydroxide (CH_add) to the initial mixture. Cement paste samples were prepared with PC, MK and water with a water-to-binder ratio of 0.6. Cement replacement ratios were chosen from 5 to 40 wt.% MK. For higher replacement ratios, i.e., 20, 30 and 40 wt.% MK, CH_add was included in the mixture. CH_add-to-MK ratios of 0.1, 0.25 and 0.5 were investigated. Thermogravimetric analysis (TGA) was carried out to study the pozzolanic reactivity after 1, 7, 28 and 56 days of hydration. A modified mass balance approach was used to normalize thermogravimetric data and to calculate the calcium hydroxide (CH) consumption of samples with CH_add. Results showed that, without CH_add, a replacement ratio of 30 wt.% or higher results in the complete consumption of CH after 28 days at the latest. In these samples, the pozzolanic reaction of MK turned out to be restricted by the amount of CH available from the cement hydration. The increased amount of CH in the samples with CH_add resulted in an enhanced pozzolanic reaction of MK as confirmed by CH consumption measurements from TGA. [ABSTRACT FROM AUTHOR]

Subunit D of multisubunit RNA polymerase from many species of archaea is predicted to bind one to two iron-sulfur (Fe-S) clusters, the function of which is unknown. A survey of encoded subunit D in the genomes of sequenced archaea revealed six distinct groups based on the number of complete or partial [4Fe- 4S] cluster motifs within domain 3. Only subunitDfrom strictly anaerobic archaea, including all members of the Methanosarcinales, are predicted to bind two [4Fe-4S] clusters. We report herein the purification and characterization of Methanosarcina acetivorans subunit D in complex with subunit L. Expression of subunit D and subunit L in Escherichia coli resulted in the purification of a D-L heterodimer with only partial [4Fe-4S] cluster content. Reconstitution in vitro with iron and sulfide revealed that the M. acetivorans D-L heterodimer is capable of binding two redox-active [4Fe-4S] clusters. M. acetivorans subunit D deleted of domain 3 (DΔD3) was still capable of co-purifying with subunit L but was devoid of [4Fe-4S] clusters. Affinity purification of subunit D or subunit DΔD3 from M. acetivorans resulted in the co-purification of endogenous subunit L with each tagged subunit D. Overall, these results suggest that domain 3 of subunit D is required for [4Fe-4S] cluster binding, but the [4Fe-4S] clusters and domain 3 are not required for the formation of the D-L heterodimer. However, exposure of two [4Fe-4S] cluster-containing D-L heterodimer to oxygen resulted in loss of the [4Fe-4S] clusters and subsequent protein aggregation, indicating that the [4Fe-4S] clusters influence the stability of the D-L heterodimer and therefore have the potential to regulate the assembly and/or activity of RNA polymerase in an oxidant- dependent manner. [ABSTRACT FROM AUTHOR]

Abstract: Cephalic effects on appetite are mediated by vagal tone and altered gastrointestinal hormones. The objective of this study is to explore the relationship between appetite and levels of gastrointestinal hormones after smelling chocolate and after melt-and-swallow 30g chocolate (1.059oz, 85% cocoa, 12.5g of sugar per 100g product). Twelve female residents (BMI between 18 and 25kg/m2) all participated in two 60-minute study sessions. In the first session, all 12 women ate chocolate; for the second session, they were randomized either to smell chocolate (n =6) or to serve as a control (no eating or smelling; n =6). At the start of the sessions, levels of insulin, glucagon-like peptide-1 (GLP-1) and cholecystokinin (CCK), but not glucose, correlated with appetite scored on a visual analogue scale (VAS). In contrast, ghrelin levels correlated inversely with scored appetite. Chocolate eating and smelling both induced a similar appetite suppression with a disappearance of correlations between VAS scores and insulin, GLP-1 and CCK levels. However, while the correlation between VAS score and ghrelin disappeared completely after chocolate eating, it reversed after chocolate smelling, that is, olfactory stimulation with dark chocolate (85%) resulted in a satiation response that correlated inversely with ghrelin levels. [Copyright &y& Elsevier]

• Temperatures until 100 °C promote an improvement on tensile strength. • Temperature does not promote substantial modification on fiber cross-section. • Temperatures over 300 °C promote a breakage on microfibrils bonding. • Sisal fiber present a good adhesion to cement until 100 °C. This experimental investigation aims to study the influence of temperature on natural fibers mechanical performance and on its interface to cement based systems. Natural sisal fiber was used on this study. Temperatures of 20, 100, 150, 200, 250 and 300 °C were used as conditions for this research. The influence of temperature on this fiber was evaluated by scanning electron microscopy (SEM), x-ray diffraction patterns (XRD), thermogravimetric analysis (TGA). The mechanical properties were evaluated by tensile test. Pullout test were performed in order to evaluate bonding on cement-based matrix after exposition to higher temperatures. The results indicate a minor modification on sisal morphology after temperature exposition until 200 °C. At 250 °C a few microcracks were observed on fiber surface, indicating a debonding of sisal fibercells and microfibrils. Sisal mechanical behavior was improved until 150 °C. This may happen due the water evaporation and shrinkage, promoting a closed and densified fiber structure. Cement main component degradation was observed before degradation of the natural fiber (around 250 °C). Bonding to cement matrix decreased after 100 °C and was maintained stable until 150 °C, and resulted in pullout forces reduction of 75% in comparison to fiber tested at 20 °C. [ABSTRACT FROM AUTHOR]

This work proposes a numerical procedure to simulate and optimize the thermal response of a multilayered wallboard system for building envelopes, where each layer can be possibly made of Phase Change Materials (PCM)-based composites to take advantage of their Thermal-Energy Storage (TES) capacity. The simulation step consists in solving the transient heat conduction equation across the whole wallboard using the enthalpy-based finite element method. The weather is described in detail by the Typical Meteorological Year (TMY) of the building location. Taking the TMY as well as the wall azimuth as inputs, EnergyPlusTM is used to define the convective boundary conditions at the external surface of the wall. For each layer, the material is chosen from a predefined vade mecum, including several PCM-based composites developed at the Institut für Werkstoffe im Bauwesen of TU Darmstadt together with standard insulating materials (i.e., EPS or Rockwool). Finally, the optimization step consists in using genetic algorithms to determine the stacking sequence of materials across the wallboard to minimize the undesired heat loads. The current simulation-based optimization procedure is applied to the design of envelopes for minimal undesired heat losses and gains in two locations with considerably different weather conditions, viz. Sauce Viejo in Argentina and Frankfurt in Germany. In general, for each location and all the considered orientations (north, east, south and west), optimal results consist of EPS walls containing a thin layer made of the PCM-based composite with highest TES capacity, placed near the middle of the wall and closer to the internal surface. [ABSTRACT FROM AUTHOR]