bluuebunny/crossref_metadata_2025_split huggingface dataset:
Developing Machine Learning Models for Catalysts in Oxidative Dehydrogenation of n‐butane
Authors: Tanimu Gazali , Olawale Ajadi Jimoh , Yahaya Yussif , Alasiri Hassan , Adegoke Nurudeen A. 
Published: July 2023

Abstract1,3‐butadiene is widely used as a raw material in the synthesis of rubber and automobile tires. In this study, machine learning models were utilized to predict the performance of catalysts in the oxidative dehydrogenation of n‐butane to 1,3‐butadiene., The datasets consisted of 304 data points generated from experiments conducted in a fixed‐bed reactor in the temperature range of 400– 500 °C and O2/C4 molar feed ratio of 1–4 mol/mol, using metal oxides of Nickel (Ni), Iron (Fe), Cobalt (Co), Bismuth (Bi), Molybdenum (Mo), Manganese (Mn) and Tungsten (W) supported on gamma alumina catalysts. Repeated 10‐fold cross‐validation was used, with 70 % of the datasets randomly selected for training and optimizing the models, whereas the remaining 30 % were used for testing the models. Among the various models examined, support vector machine with radial basis function (SVMR) model had the best coefficient of determination (R2) performance for the n‐butane conversion (training set: 98.3 % vs. test set: 88.3 %) and 1,3‐butadiene selectivity (training set: 94.0 % vs. test set: 88.6 %). In addition, the models had the lowest training and test mean absolute errors (MAE) and root mean square errors (RMSE). This study highlights the notable role of machine learning algorithms in enhancing the prediction of n‐butane oxidative dehydrogenation catalyst performance, thus promoting the development of more effective catalyst designs that exhibit high activity and selectivity, contributing positively to the field of heterogeneous catalysis. Notably, a user‐friendly application incorporating the developed machine learning models was developed, providing an invaluable tool for the real‐time on‐site prediction of catalyst performance in the oxidative dehydrogenation of n‐butane to 1,3‐butadiene. This application is a significant advancement, facilitating swift and accurate catalyst performance prediction, fostering more efficient catalyst design, streamlining, and revolutionizing the rubber and automobile tire synthesis industries.
Acoustic properties of piezoelectric cubic crystals
Authors: Ballato Arthur , Ballato John 
Published: July 2023

AbstractThis paper is offered as a complementary adjunct to the many treatments of the electronic and photonic properties of cubic III–V and II–VI compounds appearing in the literature. These crystals typically exhibit piezoelectricity, due to the molecular dissymmetry, thereby allowing the inclusion of classical mechanical/acoustic features along with the quantum. We discuss the history of this modality and then illustrate its use by applying it to an electro‐elastic problem that has the estimable virtues of having an exact solution, along with wide practical applicability: determination of the piezocoupling values governing the excitation of thickness vibrations in thin cubic films or plates of arbitrary crystallographic orientation by electric fields directed either along, or lateral to, the thickness. Explicit results are given for orientations along the great‐circle paths connecting the principal directions [100], [110], and [111]. The formalism is then applied to GaAs as an example; it is further demonstrated that various results, such as the orientational variations of piezocoupling factors, are generally applicable to other members of the III–V and II–VI families by scaling. Ancillary aspects, such as errors due to misorientations, nonlinearities, and equivalent circuit representations, are described and discussed. This work is dedicated to Gerald W. Farnell (1925–2015), Prof. Emeritus, McGill University, Montréal, Canada.
Microwave‐Assisted One Pot Cascade Conversion of Furfural to γ‐Valerolactone over Sc(OTf)3
Authors: Li Fukun , Yang Ronghe , Tian Zheng , Du Ziting , Dai Jinhang , Wang Xingmin , Li Ning , Zhang Jie 
Published: July 2023

Abstractγ‐Valerolactone (GVL) is considered as a star biochemical which can be used as a green solvent, fuel additive and versatile organic intermediate. In this study, metal triflate (M(OTf)n) was utilized as the catalyst for one‐pot transformation of furfural (FF) to GVL in alcohol media under microwave irradiation. Alcohol plays multiple functions including solvent, hydrogen donor and alcoholysis reagent in this cascade reaction process. And process efficiency of GVL production from FF upgrading is strongly related to the effective charge density of selected catalyst and the reduction potential of selected alcohol. Complex (OTf)n‐M−O(H)R, presenting both Brønsted acid and Lewis acid, is the real catalytic active species in this cascade reaction process. Among various catalysts, Sc(OTf)3 exhibited the best catalytic activity for GVL production. Various reaction parameters including the Sc(OTf)3 amount, reaction temperature and time were optimized by the response surface methodology with the central composite design (RSM‐CCD). Up to 81.2 % GVL yield and 100 % FF conversion were achieved at 143.9 °C after 8.1 h in the presence of 0.16 mmol catalyst. This catalyst exhibits high reusability and can be regenerated by oxidative degradation of humins. In addition, a plausible cascade reaction network was proposed based on the distribution of product.
Water‐Dispersible Carbon Nano‐Test Tubes as a Container for Concentrated DNA Molecules
Authors: Hoshikawa Yasuto , Kanno Yasuyuki , Tawata Hanako , Sagae Takuya , Ishii Takafumi , Imoto Shuhei , Hagihara Shinya , Wada Takehiko , Nagatsugi Fumi , Aziz Alex , Nishihara Hirotomo , Kyotani Takashi , Itoh Tetsuji 
Published: July 2023

AbstractWater‐dispersible carbon nano‐test tubes (CNTTs) with an inner and outer diameter of about 25 and 35 nm, respectively, were prepared by the template technique and then their inner carbon surface was selectively oxidized to introduce carboxy groups. The adsorption behavior of DNA molecules on the oxidized CNTTs (Ox‐CNTTs) was examined in the presence of Ca2+ cations. Many DNA molecules are attracted to the inner space of Ox‐CNTTs based on the Ca2+‐mediated electrostatic interaction between DNA phosphate groups and carboxylate anions on the inner carbon surface. Moreover, the total net charge of the DNA adsorbed was found to be equal to the total charge of the carboxylate anions. This selective adsorption into the interior of Ox‐CNTTs can be explained from the fact that the electrostatic interaction onto the inner concave surface is much stronger than that on the outer convex surface. On the other hand, the desorption of DNA easily occurs whenever Ca2+ cations are removed by washing with deionized water. Thus, each of Ox‐CNTTs works well as a nano‐container for a large amount of DNA molecules, thereby resulting in the occurrence of DNA enrichment in the nanospace.
The holo beta‐lactoglobulin lozenge reduces symptoms in cat allergy—Evaluation in an allergen exposure chamber and by titrated nasal allergen challenge
Authors: Bergmann Karl‐Christian , Raab Jennifer , Graessel Anke , Zwingers Thomas , Becker Sylvia , Kugler Sebastian , Zuberbier Torsten , Roth‐Walter Franziska , Kramer Matthias F. , Jensen‐Jarolim Erika 
Published: July 2023

AbstractBackgroundThe allergists´ tool box in cat allergy management is limited. Clinical studies have shown that holo beta‐lactoglobulin (holoBLG) can restore micronutritional deficits in atopic immune cells and alleviate allergic symptoms in a completely allergen‐nonspecific manner. With this study, we aimed to provide proof of principle in cat allergy.MethodsA novel challenge protocol for cat allergy in a standardized ECARF allergen exposure chamber (AEC) was developed. In an open pilot study (NCT05455749), patients with clinically relevant cat allergy were provoked with cat allergen for 120 min in the AEC before and after a 3‐month intervention phase (holoBLG lozenge 2x daily). Nasal, conjunctival, bronchial, and pruritus symptoms were scored every 10 min– constituting the total symptom score (TSS). Peak nasal inspiratory flow (PNIF) was measured every 30 min. In addition, a titrated nasal provocation test (NPT) was performed before and after the intervention. Primary endpoint was change in TSS at the end of final exposure compared to baseline. Secondary endpoints included changes in PNIF, NPT, and occurrence of late reactions up to 24 h after exposure.Results35 patients (mean age: 40 years) completed the study. Compared to baseline, holoBLG supplementation resulted in significant improvement in median TSS of 50% (p < 0.001), as well as in median nasal flow by 20 L/min (p = 0.0035). 20% of patients reported late reactions after baseline exposure, but 0% after the final exposure.ConclusionsCat allergic patients profited from targeted micronutrition with the holoBLG lozenge. As previously seen in other allergies, holoBLG supplementation also induced immune resilience in cat allergies, resulting in significant symptom amelioration.
Facile Access to Structurally Diverse Antimalarial Indoles Using a One‐Pot A3 Coupling and Domino Cyclization Approach
Authors: da Silva Gustavo , Luz André F. S. , Duarte Denise , Fontinha Diana , Silva Vera L. M. , Almeida Paz Filipe A. , Madureira Ana M. , Simões Sandra , Prudêncio Miguel , Nogueira Fátima , Silva Artur M. S. , Moreira Rui 
Published: July 2023

AbstractA multistep and diversity‐oriented synthetic route aiming at the A3 coupling/domino cyclization of o‐ethynyl anilines, aldehydes and s‐amines is described. The preparation of the corresponding precursors included a series of transformations, such as haloperoxidation and Sonogashira cross‐coupling reactions, amine protection, desilylation and amine reduction. Some products of the multicomponent reaction underwent further detosylation and Suzuki coupling. The resulting library of structurally diverse compounds was evaluated against blood and liver stage malaria parasites, which revealed a promising lead with sub‐micromolar activity against intra‐erythrocytic forms of Plasmodium falciparum. The results from this hit‐to‐lead optimization are hereby reported for the first time.
The LongitudinAl Nationwide stuDy on Management And Real‐world outComes of diabetes in India over 3 years (LANDMARC trial)
Authors: Das Ashok K. , Kalra Sanjay , Joshi Shashank , Mithal Ambrish , Kumar K. M. Prasanna , Unnikrishnan A. G. , Thacker Hemant , Sethi Bipin , Chowdhury Subhankar , Sugumaran Amarnath , Satpathy Ashwini , Gadekar Arvind , Menon Shalini K. , Neogi Renuka , Chodankar Deepa , Trivedi Chirag , Wangnoo S. K. , Zargar A. H. , Rais Nadeem ,   LANDMARC study group
Published: July 2023

AbstractIntroductionLANDMARC (CTRI/2017/05/008452), a prospective, observational real‐world study, evaluated the occurrence of diabetes complications, glycemic control and treatment patterns in people with type 2 diabetes mellitus (T2DM) from pan‐India regions over a period of 3 years.MethodsParticipants with T2DM (≥25 to ≤60 years old at diagnosis, diabetes duration ≥2 years at the time of enrollment, with/without glycemic control and on ≥2 antidiabetic therapies) were included. The proportion of participants with macrovascular and microvascular complications, glycemic control and time to treatment adaptation over 36 months were assessed.ResultsOf the 6234 participants enrolled, 5273 completed 3 years follow‐up. At the end of 3‐years, 205 (3.3%) and 1121 (18.0%) participants reported macrovascular and microvascular complications, respectively. Nonfatal myocardial infarction (40.0%) and neuropathy (82.0%) were the most common complications. At baseline and 3‐years, 25.1% (1119/4466) and 36.6% (1356/3700) of participants had HbA1c <7%, respectively. At 3‐years, population with macrovascular and microvascular complications had higher proportion of participants with uncontrolled glycemia (78.2% [79/101] and 70.3% [463/659], respectively) than those without complications (61.6% [1839/2985]). Over 3‐years, majority (67.7%–73.9%) of the participants were taking only OADs (biguanides [92.2%], sulfonylureas [77.2%] and DPP‐IV inhibitors [62.4%]). Addition of insulin was preferred in participants who were only on OADs at baseline, and insulin use gradually increased from 25.5% to 36.7% at the end of 3 years.ConclusionThese 3‐year trends highlight the burden of uncontrolled glycemia and cumulative diabetes‐related complications, emphasizing the importance of optimizing diabetes management in India.
Optimization of multi‐response biodiesel fueled diesel engine parameters using Taguchi grey relational analysis and analytical hierarchy process
Authors: Warkhade Ganesh S. , Katam Ganesh Babu , Veeresh Babu A. 
Published: July 2023

AbstractCompression ignition engines are currently optimized to run on petrodiesel fuel, but due to its increasing demand and depletion of fossil fuel reserves, alternative fuels must be utilized. In this article, an attempt was made to optimize the operating parameters of an unmodified compression ignition engine fueled with linseed methyl ester biodiesel. The input parameters were compression ratio, load, and fuel blend, while output responses included brake‐specific fuel consumption (BSFC), brake thermal efficiency (BTE), and exhaust gas temperature (EGT), peak cylinder pressure (PCP), the rate of pressure rise (RPR), and net heat release rate (NHR), hydrocarbon (HC), carbon monoxide (CO), NOx, and Smoke. The aim was to determine the optimal combination of input parameters for minimal emissions and better performance and combustion parameters, with a minimum number of experiments. The study used Taguchi's L9 orthogonal array with a grey relational analysis approach (GRA) to obtain the optimum combination of input parameters. The study found that fuel blend B10, CR 18, and load 100% were the optimal input parameter combinations using the TGRA method. The S/N ratio analysis of grey relational grade (GRG) showed the optimal input factor levels to be fuel B10, CR 16, and load 100%, which was confirmed by the AHP method. The analysis of variance (ANOVA) showed that the load was the most influential factor, followed by CR and fuel. The confirmatory results showed an improvement of 56.1%, indicating that biodiesel can be efficiently used in an unmodified compression ignition engine by varying these influencing factors.
Fire resistance of austenitic stainless steel beams with rectangular hollow sections
Authors: Lopes N. , Arrais F. , Vila Real P. , Alves M. , Mesquita L. , Piloto P. , Pinho da Cruz J. 
Published: July 2023

AbstractThis paper presents a study on the structural behaviour of stainless steel profiles under fire conditions. An experimental campaign of three‐point bending tests on rectangular hollow section beams of the grade 1.4301 (also known as 304) were conducted, considering both steady‐state and transient state conditions. Prior to those tests, the mechanical characterization of the stainless steel was investigated. The constitutive laws obtained by tensile tests at high temperatures are compared with those recommended in Eurocode 3, whose respective material models were recently proposed for modifications, still requiring complete validation. In addition, numerical modelling of the bending tests has been performed afterwards achieving close approximation to the observed experimental results. Finally, analytical methods to predict the load‐deflection behaviour are also presented. Good agreement between the considered methodologies was attained validating their application on the prediction of the fire behaviour of stainless steel beams.
Downdraft energy tower for negative emissions: Analysis on methane removal and other co‐benefits
Authors: Tao Tao , Wang Yuyin , Ming Tingzhen , Mu Liwen , de Richter Renaud , Li Wei 
Published: July 2023

AbstractThe downdraft energy tower is proposed in research as a new technology for green electricity in recent years. In this work, it is analyzed as an emerging greenhouse gas removal technology against climate change that provides multiple co‐benefits for the environment, in addition to green electricity. Compared to other negative emission technologies, DET might be able to remove atmospheric methane (CH4) without adding additional equipment, materials or costs. In multiple case studies, the DET offers at least 15% increase in profit thanks to CH4 removal in addition to green electricity generation. © 2023 The Authors. Greenhouse Gases: Science and Technology published by Society of Chemical Industry and John Wiley & Sons Ltd.
Microglia are involved in regulating histamine‐dependent and non‐dependent itch transmissions with distinguished signal pathways
Authors: Yang Yuxiu , Mou Bin , Zhang Qi‐Ruo , Zhao Hong‐Xue , Zhang Jian‐Yun , Yun Xiao , Xiong Ming‐Tao , Liu Ying , Liu Yong U. , Pan Haili , Ma Chao‐Lin , Li Bao‐Ming , Peng Jiyun 
Published: July 2023

AbstractAlthough itch and pain have many similarities, they are completely different in perceptual experience and behavioral response. In recent years, we have a deep understanding of the neural pathways of itch sensation transmission. However, there are few reports on the role of non‐neuronal cells in itch. Microglia are known to play a key role in chronic neuropathic pain and acute inflammatory pain. It is still unknown whether microglia are also involved in regulating the transmission of itch sensation. In the present study, we used several kinds of transgenic mice to specifically deplete CX3CR1+ microglia and peripheral macrophages together (whole depletion), or selectively deplete microglia alone (central depletion). We observed that the acute itch responses to histamine, compound 48/80 and chloroquine were all significantly reduced in mice with either whole or central depletion. Spinal c‐fos mRNA assay and further studies revealed that histamine and compound 48/80, but not chloroquine elicited primary itch signal transmission from DRG to spinal Npr1‐ and somatostatin‐positive neurons relied on microglial CX3CL1‐CX3CR1 pathway. Our results suggested that microglia were involved in multiple types of acute chemical itch transmission, while the underlying mechanisms for histamine‐dependent and non‐dependent itch transmission were different that the former required the CX3CL1‐CX3CR1 signal pathway.
Empowering general practitioners in dementia care: The ANTISTIGMA education intervention in Europe
Authors: Cartz‐Piver Leslie , Calvet Benjamin , Mehrabian‐Spassova Shima , Raycheva Margarita , Rejdak Kondrad , Papuk Ewa , Leperre‐Desplanques Armelle , Krolak‐Salmon Pierre 
Published: July 2023

AbstractBackgroundThere is a well‐documented lack or delay of diagnosis of dementia in all countries, including in Europe. Most general practitioners (GPs) have acquired adequate academic and scientific information about dementia but avoid using it in practice because of stigma.ObjectivesTo persuade GPs of their role in dementia detection, an Antistigma education intervention was designed, with teaching objectives focusing on “Why” and “How” to diagnosis and manage dementia, based on ethical and practical content, as opposed to classical training centered on teaching “What”, with mainly academic content.MethodsDuring the European Joint Action “ACT ON DEMENTIA”, the Antistigma education intervention was implemented in four Universities: Lyon and Limoges (France), Sofia (Bulgaria) and Lublin (Poland). General data, including information about training and experience in dementia, was collected. Specific scales measured Dementia Negative Stereotypes DNS and Dementia Clinical Confidence D‐CO before and after training.Results134 GPs and 58 residents R completed the training. The participants were mainly women (74%), and the mean age was 42.8 ± 13.2. Before training, participants expressed difficulties in defining GPs role and worries about inflicting Stigma, Risks of diagnosis, Lack of benefit and Communication difficulties. Participants' D‐CO was significantly higher for Diagnosis process (64%) than for other clinical situations. After training, total NS was reduced from 34.2% to 29.9% (p < 0.001), and stereotypes were improved: GPs' role (40.1% reduced to 35.9%; p < 0.001), Stigma (38.7% reduced to 35.5%; p < 0.001), Risks of diagnosis (39.0% reduced to 33.3%; p < 0.001), Lack of Benefit (29.3% reduced to 24.6%; p < 0.001) and Communication difficulties (19.9% reduced to 16.9%; p < 0.001). After training, D‐CO was significantly increased in all the clinical situations (p < 0.001), but stayed highest for Diagnosis Process. There was no significant difference between the universities. Participants who benefited best from the Antistigma education intervention were those without training in Geriatrics and those working in nursing homes (who reduced the most D‐NS), as well younger participants and those who managed less than five people living with dementia per week (who increased the most D‐CO).ConclusionThe Antistigma program is based on the idea that most often GPs and R have acquired adequate academic and scientific information about dementia but avoid using it in practice because of stigma. These results outline the importance of addressing ethical issues and practical management situations in dementia education, to empower GPs in dementia care.
Chronic myeloid leukemia kinase domain mutations: A retrospective descriptive study on the therapeutic and prognostic significance in patients at King Edward VIII Hospital, KwaZulu‐Natal, South Africa
Authors: Benjamin Caryn , Murugan Stephanie , Hoosen Siddeeq , Rapiti Nadine 
Published: July 2023

AbstractBackgroundChronic myeloid leukemia (CML) is a myeloproliferative neoplasm that harbors the Philadelphia chromosome. Tyrosine kinase inhibitor (TKI) therapy has dramatically improved the survival of patients with CML. Nevertheless, 20%–40% of CML patients require changes in TKI therapy due to intolerance or drug resistance. A total of 30%–60% of resistant cases result from kinase domain (KD) mutations. There is currently no published data on CML KD mutations in South Africa.MethodsThis retrospective, descriptive study collected data from 206 CML patients attending the King Edward Hospital Hematology clinic. Patient‐based and mutation‐based factors were analyzed using descriptive statistical analysis and Kaplan–Meier curves for survival analysis.ResultsKD mutations were detected in 29.1% (n = 60 of 206). A total of 40 different KD mutations were detected, with unknown responses to TKI therapy in 65% (n = 26 of 40). A total of 57.7% (n = 15 of 26) of mutations with an unknown response, showed a response to specific TKIs in our study. Four patients had A399T mutations, of which two showed good responses to Nilotinib. Patients with I293N and V280M mutations showed good responses to Imatinib. G250E was most frequently detected. Despite M351T being one of six most commonly reported KD mutations globally, this mutation was not detected in our patient cohort. A total of 20.9% (n = 43 of 206) human immunodeficiency virus (HIV) positive patients were identified, of which 25.6% (n = 11 of 43) had KD mutations. HIV status showed no significant effect on mutational status or overall survival.ConclusionThe predicted response to TKI therapy was unknown in more than half of the KD mutations detected in our patient population. Additionally, eight patients with mutations with known responses to TKIs showed responses discordant to that expected. HIV status and KD mutations had no statistically significant effect on overall survival. Although some data were comparable to international publications, few notable differences warrant further investigation.