bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermal conductivity tensor of β‐HMX as a function of pressure and temperature from equilibrium molecular dynamics simulations
Authors: Pereverzev Andrey , Sewell Tommy 
Published: May 2023

AbstractWe apply the Green–Kubo (G–K) approach to obtain the thermal conductivity tensor of β‐1,3,5,7‐tetranitro‐1,3,5,7‐tetrazoctane (β‐HMX) as a function of pressure and temperature from equilibrium molecular dynamics (MD) simulations. Direct application of the G–K formula exhibits slow convergence of the integrated thermal conductivity values even for long (120 ns) accumulated simulation times. To partially mitigate this slow convergence, we apply a recently implemented numerical procedure that involves physically justified filtering of the MD‐calculated G–K heat current and fitting the integrated time‐dependent thermal conductivity to a physically motivated double‐exponential function. The thermal conductivity tensor was determined for pressures 0.1 MPa
30 GPa and temperatures 300 K
900 K. The thermal conductivity
increases with increasing pressure, by approximately an order of magnitude over the interval considered, and decreases with increasing temperature. The MD predictions are compared to experimental and other theoretically determined values for the thermal conductivity of β‐HMX. A simple, semi‐empirical fitting form is proposed that captures the behavior of
over the pressure and temperature intervals studied.
Detonation characterization of low‐density emulsion explosives
Authors: Pimenta João , Quaresma Joana , Ribeiro José , Mendes Ricardo 
Published: May 2023

AbstractDue to the wide applicability and popularity of emulsion explosives (EEs) in the industry, ongoing advancements have been made in order to better understand and optimize the capabilities of EEs. Over the recent years, work has been developed to understand the effect that additives have on the detonation phenomena, and the energetic properties of EEs. In recent studies, most emphasis has been given to energetic additives, and little information is available regarding non‐energetic additives, despite their rising use in industrial applications. This work intends to do a detonation characterization of low‐density EEs, using EPS as a non‐energetic additive, in a concentration range of 0 % to 4 %, and consequently, an EEs density range of 1.12 g/cm3 down to 0.49 g/cm3. In order to characterize the detonation velocity and pressure of these EEs, different charge configurations (rectangular cross‐section and cylindrical) and measurement methods (discrete and quasi‐continuous) were used throughout this work. The results obtained, for these charge configurations and within EEs with these compositions and densities, display a linear behaviour for the detonation velocity, ranging from 2126 m/s up to 5581 m/s, and also for the values of the detonation pressure, varying between 3.3 GPa up to 11.7 GPa.
Statistical analysis of laboratory accidents in Chinese universities from 2011 to 2021
Authors: Lv Pengfei , Zhu Shucheng , Pang Lei 
Published: May 2023

AbstractThis paper analyzed the frequency and correlation coefficient of 51 typical laboratory incidents from 2011 to 2021, and the results showed that 2015 was the peak year for accidents. March, April, and December were the months with the highest number of accidents, injuries, and fatalities, respectively. The time periods with the highest frequency, number of injuries, and number of fatalities were 10:01–12:00, 14:01–16:00, and 08:01–10:00, respectively. Chemical laboratories were the type of laboratory with the highest number of accidents. Other explosions and vessel explosions were the accident types that cause the highest average number of injuries and the highest average number of fatalities, respectively. Human factors were the main direct cause of laboratory accidents. Chi‐square analysis found that fire accidents were the predominant accident type among casualty‐free accidents and injury accidents, and vessel explosions were the predominant accident type among fatal accidents. Based on statistical analysis, this study put forward suggestions for effective prevention of laboratory accidents in universities from the aspects of university laboratory safety management institutions, safety management systems, safety management responsibilities, safety education and training and emergency drills, safety construction investment, and information monitoring platforms. It aimed to provide a reference for universities to strengthen laboratory safety.
ENPS 101—Back to school for process safety
Authors: Forest Jerry , Grounds Cheryl 
Published: May 2023

AbstractThis paper will provide an overview of the recently issued CCPS Process Safety for Engineers: An Introduction, Second Edition and how to use it. The objective of the text is to support teaching and learning of risk‐based process safety fundamentals as defined by the Center for Chemical Process Safety (CCPS). It also addresses the Accreditation Board for Engineering and Technology (ABET) Program Criteria for Chemical Engineering, which requires that chemical engineering curricula include consideration of the hazards relevant to chemical processes. This book can be used in meeting that requirement either as a curriculum for an undergraduate‐level process safety course or to provide process safety content into common chemical engineering courses. The team creating the book included professors who teach process safety. The book is founded on the CCPS risk‐based process safety elements and points to numerous tools to support the instructor in teaching and the engineer in conducting process safety fundamentals. Each chapter begins with a detailed process safety incident case study and includes what a new engineer might do, problem sets, numerous references, and a generic presentation file for use by professors.
Optimizing system reliability through selective maintenance allocation: A novel multi‐objective programming approach using neutrosophic fuzzy concept
Authors: Kamal Murshid , Gupta Srikant , Jalil Syed Aqib , Ahmed Aquil 
Published: May 2023

AbstractSelective maintenance refers to the problem of decision‐making on how to maintain a multi‐component complex system that can be repaired or replaced. The goal is generally to plan ahead in order to improve the likelihood of success for future maintenance tasks. In this article, we proposed a multi‐objective decision‐making model for maximizing the system reliability of a multi‐component systems. The objective functions represent the reliability of the sub‐systems arranged in series comprising of components arranged in parallel forms. The cost and total time incurred in the repair/replacement activities are considered as two sets of constraints in the proposed model. Fuzzy logic is incorporated to deal with the inherent uncertainty that exists in the parameters involved in the proposed model. To solve the uncertain multi‐objective selective maintenance model, we have proposed four‐valued neutrosophic technique. The proposed solution methodology combines the concept of four‐valued neutrosophic fuzzy set with fuzzy goal programming technique. Four linear membership functions for the degrees of truth, uncertainty, contradiction, and false are used to obtain the compromise solution through the proposed technique. To determine the feasibility and applicability of the proposed model and solution methodology, a case problem of multi‐component system of an aircraft gas turbine engine is studied.
Teenage pregnancy and subalternity: A culturally constructed vulnerability
Authors: de Flores‐Palacios María de Fátima , García‐Alcaraz Janet Gabriela 
Published: May 2023

AbstractOne of the main causes of death in adolescents in Latin America according to WHO (2018) is teenage pregnancy and is related to conditions of poverty and precariousness. During 2020, there were 373,661 births to adolescent women in Mexico, which continues to place the country in first place among OECD countries in early pregnancy. The repercussions are multiple in emotional and physical health, in addition to altering women's context and lived experience, building new and diverse vulnerabilities that are related to the gender condition and hegemonic social representations. Qualitative results are presented for two contexts, urban and coastal, where young women live in precarious conditions and a certain degree of abandonment, pointing to the need to develop action and education strategies that have an impact on the prevention of early pregnancies.
Green Synthesis of a Biochar‐Based Iron Oxide Catalyst for Efficient Degradation of Pesticides: Kinetics and Photoactivity
Authors: Rani Manviri , Keshu  , Ankit  , Shanker Uma 
Published: May 2023

AbstractPhotocatalysis is considered as promising methodology for the removal of pesticides from wastewater given its cost‐effective and environmental benignity. Pesticide toxicity and bioaccumulation have brought up environmental issues, underlining the necessity for efficient removal techniques based on novel nanomaterials. Herein, biochar (BC) synthesized by using waste peels of citrus limetta embedded with green synthesized Fe2O3 nanoparticle by using green tea extract. By using PXRD analysis, the α phase of Fe2O3 confirmed. Endosulfan (ES) and Ethion (ET) pesticides are degraded photocatalytically using a sequential, BC@ Fe2O3 nanohybrid. At the pollutant concentration (50 mg L−1), with catalytic dose (25 mg) in acidic condition under natural sunlight, BC@ Fe2O3 showed to be extremely effective in the breakdown of pesticides. The higher removal of pesticides by BC@ Fe2O3 supported by higher value of zeta potential (−22.5 mV), enhanced surface area (74 m2 g−1) and lower value of band gap (1.8 eV) as an effect of interactive characteristic and semiconducting behaviour. The fast decline in pesticide concentration followed by a gradual decrease demonstrated Ist order kinetics triggered by Langmuir adsorption. The availability of active species such as oxygen, hydroxyl radicals and holes, which are liable for pesticide breakdown, proved by scavenger analysis. Formation of safer metabolites during the photocatalytic studies confirmed by the LC‐MS studies. Finally, modified BC@ Fe2O3 nanohybrid may prove to be a viable alternative catalyst for industrial applications due to their reusability (n=7), charge separation, stability and high surface activity.
Substituent Effects on the Carboxylation Step of Allyllic Substrates: A Density Functional Theory Study
Authors: Yao Chengyu , Liu Deguang , Xu Zheyuan , Yu Haizhu , Shi Jing 
Published: May 2023

AbstractNi(0/I) catalysed direct carboxylation of allyl alcohols represents an effective way to create β, γ‐unsaturated carboxylic acids, with the carboxylation to be a crucial elementary step. Using density functional theory (DFT) calculations, we investigated how substituents affected the carboxylation process. The energy barrier of the carboxylation process is relatively low in the case of Ni(0), which can be efficiently lowered down by electron‐donating group (at allyl‐α‐C). Other distal sites have less of an impact. The steric effect on this reaction is insignificant, although there is a certain threshold. Multiple linear regression was taken to fit the energy barrier of the carboxylation step using the NPA, Fukui function, and Wiberg bond index of the pre‐intermediate The results showed that the energy barrier of the carboxylation step can be easily predicted by the property parameter of the pre‐intermediate, eliminating the complex transition state calculation.
Training with AI: Evidence from chess computers
Authors: Gaessler Fabian , Piezunka Henning 
Published: May 2023

AbstractWe suggest that AI can help decision‐makers learn; specifically, that it can help them learn strategic interactions by serving as artificial training partners and thus help them to overcome a bottleneck of scarce human training partners. We present evidence from chess computers, the first widespread incarnation of AI. Leveraging the staggered diffusion of chess computers, we find that they did indeed help chess players improve by serving as a substitute for scarce human training partners. We also illustrate that chess computers were not a perfect substitute, as players training with them were not exposed to and thus did not learn to exploit idiosyncratic (“human”) mistakes. We discuss implications for research on learning, on AI in management and strategy, and on competitive advantage.
Insulative Biobased Glaze from Wood Laminates Obtained by Self‐Adhesion
Authors: Chen Chuchu , Zhou Tong , Wan Zhangmin , Xu Zhaoyang , Jin Yongcan , Li Dagang , Rojas Orlando J. 
Published: May 2023

AbstractThe combination of optical transparency and mechanical strength is a highly desirable attribute of wood‐based glazing materials. However, such properties are typically obtained by impregnation of the highly anisotropic wood with index‐matching fossil‐based polymers. In addition, the presence of hydrophilic cellulose leads to a limited water resistance. Herein, this work reports on an adhesive‐free lamination that uses oxidation and densification to produce transparent all‐biobased glazes. The latter are produced from multilayered structures, free of adhesives or filling polymers, simultaneously displaying high optical clarity and mechanical strength, in both dry and wet conditions. Specifically, high values of optical transmittance (≈85.4%), clarity (≈20% with low haze) at a thickness of ≈0.3 mm, and highly isotropic mechanical strength and water resistance (wet strength of ≈128.25 MPa) are obtained for insulative glazes exhibiting low thermal conductivity (0.27 W m−1 K−1, almost four times lower than glass). The proposed strategy results in materials that are systematically tested, with the leading effects of self‐adhesion induced by oxidation rationalized by ab initio molecular dynamics simulation. Overall, this work demonstrates wood‐derived materials as promising solutions for energy‐efficient and sustainable glazing applications.
Chiral Materials: Progress, Applications, and Prospects
Authors: Niu Xiaohui , Zhao Rui , Yan Simeng , Pang Zengwei , Li Hongxia , Yang Xing , Wang Kunjie 
Published: May 2023

AbstractChirality is a universal phenomenon in molecular and biological systems, denoting an asymmetric configurational property where an object cannot be superimposed onto its mirror image by any kind of translation or rotation, which is ubiquitous on the scale from neutrinos to spiral galaxies. Chirality plays a very important role in the life system. Many biological molecules in the life body show chirality, such as the “codebook” of the earth's biological diversity‐DNA, nucleic acid, etc. Intriguingly, living organisms hierarchically consist of homochiral building blocks, for example, l‐amino acids and d‐sugars with unknown reason. When molecules with chirality interact with these chiral factors, only one conformation favors the positive development of life, that is, the chiral host environment can only selectively interact with chiral molecules of one of the conformations. The differences in chiral interactions are often manifested by chiral recognition, mutual matching, and interactions with chiral molecules, which means that the stereoselectivity of chiral molecules can produce changes in pharmacodynamics and pathology. Here, the latest investigations are summarized including the construction and applications of chiral materials based on natural small molecules as chiral source, natural biomacromolecules as chiral sources, and the material synthesized by design as a chiral source.
Phosphorylation of Bcl‐2 by JNK confers gemcitabine resistance in lung cancer cells by reducing autophagy‐mediated cell death
Authors: Chiu Chih‐Hao , Ramesh Samiraj , Liao Po‐Hsiang , Kuo Wei‐Wen , Chen Ming‐Cheng , Kuo Chia‐Hua , Li Chi‐Cheng , Wang Tso‐Fu , Lin Yueh‐Min , Lin Yu‐Jung , Huang Chih‐Yang 
Published: May 2023

AbstractThe most common cancer‐related death in the world is non‐small cell lung cancer (NSCLC). Gemcitabine (GEM) is a common and effective first‐line chemotherapeutic drug for the treatment of NSCLC. However, the long‐term use of chemotherapeutic drugs in patients usually induces cancer cell drug resistance, leading to poor survival, and prognosis. In this study, to observe and explore the key targets and potential mechanisms of NSCLC resistance to GEM, we first cultured lung cancer CL1‐0 cells in a GEM‐containing medium to induce CL1‐0 cells to develop GEM resistance. Next, we compared protein expression between the parental and GEM‐R CL1‐0 cell groups. We observed significantly lower expression of autophagy‐related proteins in GEM‐R CL1‐0 cells than in parental CL1‐0 cells, indicating that autophagy is associated with GEM resistance in CL1‐0 cells. Furthermore, a series of autophagy experiments revealed that GEM‐R CL1‐0 cells had significantly reduced GEM‐induced c‐Jun N‐terminal kinase phosphorylation, which further affected the phosphorylation of Bcl‐2, thereby reducing the dissociation of Bcl‐2 and Beclin‐1 and ultimately reducing the generation of GEM‐induced autophagy‐dependent cell death. Our findings suggest that altering the expression of autophagy is a promising therapeutic option for drug‐resistant lung cancer.
Down syndrome and Alzheimer's disease: A scoping review of functional performance and fall risk
Authors: Washington Selena E. , Cler Emily , Lowery Cameron , Stark Susan L. 
Published: May 2023

AbstractIntroductionAlzheimer's disease (AD) occurs in aging adults with Down syndrome (DS) at a higher prevalence and an earlier age than in typical aging adults. As with the general aging adult population, there is an urgent need to understand the preclinical and early phases of AD progression in the adult population with DS. The aim of this scoping review was to synthesize the current state of the evidence and identify gaps in the literature regarding functional activity performance and falls and their significance to disease staging (i.e., mild, moderate, and severe defined staging criteria) in relation to Alzheimer's disease and related dementias (ADRD) in adults with DS.MethodsThis scoping review included six electronic databases (e.g., PsycInfo, Academic Search Complete, CINAHL, COCHRANE Library, MEDLINE, and PubMed). Eligible studies included participants with DS ≥25 years of age, studies with functional measures and/or outcomes (e.g., activities of daily living, balance, gait, motor control, speech, behavior, and cognition; falls; and fall risks), and studies that investigated AD pathology and implications.ResultsFourteen eligible studies were included and categorized through a thematic analysis into the following themes: (1) physical activity and motor coordination (PAMC), (2) cognition, (3) behavior, and (4) sleep. The studies indicated how functional activity performance and engagement may contribute to early identification of those at risk of cognitive decline and AD development and/or progression.DiscussionThere is a need to expand the research regarding ADRD pathology relative to functional outcomes in adults with DS. Functional measures related to disease staging and cognitive impairment are essential to understanding how AD progression is characterized within real‐world settings. This scoping review identified the need for additional mixed‐methods research to examine the use of assessment and intervention related to function and its detection of cognitive decline and AD progression.
Causes of thrombocytopenia in dogs in the United Kingdom: A retrospective study of 762 cases
Authors: Martín‐Ambrosio Francés Marina , Seth Mayank , Sharman Mellora , Pollard Danica , Ortiz Ana Liza , Miller Rachel , Natsiopoulos Thomas , Walker David , Jones Bryn , Hardwick Joshua , Glanemann Barbara , Garcia Andrés Salas , Bacon Jessica , Selgas Aida Gómez 
Published: May 2023

AbstractBackgroundThrombocytopenia is a common laboratory abnormality in dogs, and numerous diseases have been associated with its development. Estimates for the sensitivity and specificity of the degree of reduction of platelet concentration for the diagnosis of primary immune‐mediated thrombocytopenia (pITP) have not been reported.ObjectivesTo report the prevalence of different causes of thrombocytopenia in dogs in the United Kingdom and to investigate the utility of platelet concentration to differentiate causes of thrombocytopenia.MethodsMedical records of 762 dogs with thrombocytopenia presented to seven referral hospitals from January 2017 to December 2018 were retrospectively reviewed. Cases were assigned into the following categories: pITP, infectious diseases, neoplasia, inflammatory/other immune‐mediated disorders and miscellaneous causes. The prevalence of the different categories was estimated, and platelet concentrations were compared. Receiver‐operating characteristic (ROC) curves were used to investigate the utility of platelet concentration to differentiate between causes of thrombocytopenia.ResultsThe most common disease category associated with thrombocytopenia was neoplasia (27.3%), followed by miscellaneous causes (26.9%), pITP (18.8%), inflammatory/immune‐mediated disorders (14.4%) and infectious diseases (12.6%). Dogs with pITP had significantly lower platelet concentrations (median 8 × 109/L, range: 0–70 × 109/L) than dogs in the other four categories. Platelet concentration was useful for distinguishing pITP from other causes of thrombocytopenia (area under ROC curve = 0.89, 95% confidence interval 0.87, 0.92), with a platelet concentration ≤12 × 109/L being 60% sensitive and 90% specific.ConclusionsSevere thrombocytopenia was highly specific for a diagnosis of pITP, which was more prevalent in this UK population of thrombocytopenic dogs compared with previous epidemiological studies. Conversely, the proportion of dogs with infectious diseases was lower than in previous reports from other locations.
Combining surveys in small area estimation using area‐level models
Authors: Franco Carolina , Maitra Poulami 
Published: May 2023

AbstractFor many sample surveys, researchers, policymakers, and other stakeholders are interested in obtaining estimates for various domains, such as for geographic levels, for demographic groups, or a cross‐classification of both. Often, the demand for estimates at a disaggregated level exceeds what the sample size and survey design can support when estimation is done by traditional design‐based estimation methods. Small area estimation involves exploiting relationships among domains and borrowing strength from multiple sources of information to improve inference relative to direct survey methods. This typically involves the use of models whose success depends heavily on the quality and predictive ability of the sources of information used. Possible sources of auxiliary information include administrative records, Censuses, big data such as traffic or cell phone data, or previous vintages of the same survey. One rich source of information is that of other surveys, especially in countries like the United States, where multiple surveys exist that cover related topics. We will provide an introduction to the topic of combining information from multiple surveys in small area estimation using area‐level models, including practical advice and a technical introduction, and illustrating with applications. We will discuss reasons to combine surveys and give an overview of some of the most common types of models.This article is categorized under:
Statistical Models > Multivariate Models