bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of 1,3‐Dioxan‐2‐ones by Photo‐Aerobic Selenium‐π‐Acid Multicatalysis
Authors: Müller Kilian A. , Nagel Carolin H. , Breder Alexander 
Published: November 2022

AbstractAn expedient method for the synthesis of cyclic carbonates from homoallylic carbonic acid esters by means of photo‐aerobic selenium‐π‐acid multicatalysis is reported. Until now, conceptually related methods commonly relied either on the stoichiometric addition of electrophiles onto the substrate's alkene moiety or the presence of pre‐installed leaving groups in allylic position of said alkene to – in part, catalytically – initiate an intramolecular attack by an adjacent carbonic acid ester group. In sharp contrast, the current study shows that the C−C double bond of homoallylic carbonic acid esters can be directly activated by the catalytic interplay of a pyrylium dye and a diselane using ambient air as the sole oxidant and visible light as an energy source.
Furylenevinylene Oligomers as Extended Conjugated Systems from Renewable Materials
Authors: Mallet Charlotte , Frère Pierre 
Published: November 2022

AbstractA series of furylenevinylene oligomers (FV) were synthesized from common furan platforms derived of lignocellulosic biomass. Their electronic properties were evaluated by UV‐Vis absorption and cyclic voltammetry and compared with thienylenevinylene analogues (TV). The difference between the electronic properties of these extended vinyl‐heterocycle derivatives is mainly due to the less aromatic character of the furan core that allows an easier access to the quinoidic form and thus, procures a better electronic delocalization. As a main consequence, the access to the dication state is favoured for the furan derivatives with a quasi‐coalescence of the two first oxidation potentials for 5 FV units.
Effect of modeling of inherent damping on the response and collapse performance of seismically isolated buildings
Authors: Kitayama Shoma , Constantinou Michael C. 
Published: November 2022

AbstractThis paper investigates the effect of inherent damping modeling on the computed seismic response and collapse performance of selected seismically isolated buildings. The analyzed seismically isolated buildings were designed by the procedures of the ASCE/SEI 7–16 standard. The structure is a six‐story perimeter frame building designed with special moment resisting frames or with special concentrically braced frames (SCBF) for a location in California. Three different seismic isolation systems are considered: (i) triple friction pendulum (TFP) bearings without moat walls, (ii) TFP bearings with moat walls (double concave [DC] friction pendulum bearings with moat walls have effectively the same ultimate behavior), and (iii) DC friction pendulum bearings without moat wall. The superstructure inherent damping schemes considered are (i) zero damping, (ii) modal damping, (iii) Zareian‐Medina damping, (iv) added virtual viscous dampers with and without force‐caps, and (v) added virtual viscous dampers with the same damping constant value. The response parameters computed are peak floor accelerations, peak story drift ratios, peak residual story drift ratios, peak isolator horizontal displacement, and floor acceleration spectra. Also, the probability of collapse in the maximum considered earthquake (MCER) is computed. It is shown that the modeling approach for the inherent damping has minor effects on the computed responses and the collapse probability of the studied seismically isolated buildings, except for the peak floor acceleration and the floor response spectra for periods below one second. It is suggested that a convenient way to model inherent damping is to use virtual viscous dampers with all having the same damping constant.
Grey neural network channel estimation and RBFNN hybrid precoding schemes for the multi user millimeter wave massive MIMO
Authors: B Pradheep T Rajan , N Muthukumaran 
Published: November 2022

AbstractThe millimeter wave (mm‐wave) multi‐input multi‐output (MIMO) communications are the most promising technology specially developed for next‐generation wireless networks so that the throughput and available spectrum of the network has been massively increased. At base station, it has a large number of antenna arrays with coherent transceiver processing, which helps to increase spectral efficiency. Each antenna in conventional MIMO systems makes use of a single radio‐frequency (RF) chain to boost multiplexing gain. Additionally, due to broader bandwidth, channel frequency is selective and signal‐to‐noise (SNR) is low. A successful channel estimation training phase is thus required. However, the utilization of a huge number of antennas leads to unaffordable hardware costs and excessive power usage. In order to deliver high array gain at a more affordable price, hybrid precoding techniques are applied. Both baseband combinational matrix and baseband precoding matrix must be optimised when transmitter and receiver sides of mm‐wave MIMO systems adopt hybrid precoding architecture. In addition, the combinational matrix and the precoding matrix have to be simulated to obtain the maximum system sum rate. This requires an efficient hybrid precoding approach for generating improved array gain. Therefore, this work uses a novel grey neural network approach for channel estimation and radial basis function neural network (RBFNN) for hybrid precoding. For effective channel estimation, grey wolf optimization (GWO) works in conjunction with artificial neural networks (ANN) to produce optimum results. In mm‐wave MIMO systems, the hybrid precoding RBFNN offers reduced complexity and increased efficiency. As a result, the proposed work adopts neural networks to provide effective channel estimation and hybrid precoding.
Using US Natural Resource Damage Assessment to understand the environmental consequences of the war in Ukraine
Authors: Wenning Richard J. , Tomasi Theodore D. 
Published: November 2022

Abstract
Military conflict has led to large-scale environmental changes throughout recorded human history. Pollution from war contaminates surface water and soil, releases large volumes of greenhouse gases into the air, and directly harms wildlife and biodiversity. Although much is understood about the human toll of war, numerous examples of postwar reconstruction suggest that underestimating the severity of wartime damages to ecosystems and natural resources results in prolonged or incomplete recovery of the environment. A data-driven scientific approach closely aligned with the evidentiary rules standard in western legal systems is needed to quantify the injury, destruction, or loss of natural resources and inform the estimation of the reparations necessary to restore the environment fully. The US Natural Resource Damage Assessment (NRDA) process and the European Union environmental liability directive are well-suited for a systematic and science-based analysis of the ecological injuries incurred during armed conflicts. Both approaches include a preliminary damage assessment process, which could be initiated during wartime to document and predict the likely severity of the injuries and prioritize, in advance, rehabilitation activities after the cessation of hostilities. In this article, we refer to news reporting of Russia's February 2022 invasion of Ukraine as an example of how a preliminary damage assessment could be conducted remotely and later modified by in-country inspections and analysis to verify and refine the scale of injuries and to develop reparation proposals. Integr Environ Assess Manag 2023;19:366–375. © 2022 SETAC
Risk-based and sustainable approaches to remediation: Analysis and perspectives of the Italian and international context
Authors: Piccapietra Luca , Razzetti Cecilia , Gallo Lisa , Frisario Silvia 
Published: November 2022

Abstract
The management of contaminated areas is addressed at the international level with different regulatory instruments and approaches that can influence the selection of technologies, costs, and time for site recovery. The aim of this study was benchmarking the regulatory and technical approach to contaminated areas in both the Italian and international contexts, represented by eight European countries such as, among others, the United Kingdom, France, Germany, and the USA. An extensive international literature research was considered, including publications and reports by sector operators, legislators, and research groups, that enabled the identification of efficient and sustainable international practices and procedures for the contaminated site reclamation. Particular attention was paid to the status and costs of soil and groundwater remediation in Europe and in the United States. The outcomes of the study have shown that, from regulatory and administrative points of view, the remediation sector in Italy is among the most conservative, that is, more binding in the identification of contaminated sites and in the definition of remediation objectives. To reverse this trend and align it to the other countries that were the focus of this study, the concepts of mobility and/or bioavailability of contaminants, sustainability, and circular economy could be taken into account in the Italian administrative procedures. These concepts are currently only referred to in the Italian legislation but have not been yet made effectively applicable by codified procedures. In the Italian context, the conservative approach to site remediation may negatively affect the process of contaminated site reclamation and ecological transition. Further debate on the development of environmental regulations to align policies among the remediation stakeholders, particularly at the Italian and international regulatory level, is therefore needed. Integr Environ Assess Manag 2023;19:920–932. © 2022 SETAC
Diabetes, metformin use and risk of non‐Hodgkin's lymphoma in postmenopausal women: A prospective cohort analysis in the Women's Health Initiative
Authors: Wang Zikun , Phillips Lawrence S. , Rohan Thomas E. , Ho Gloria Y. F. , Shadyab Aladdin H. , Bidulescu Aurelian , Rudick Charles N. , Pan Kathy , Chen Zhongxue , Luo Juhua 
Published: November 2022

AbstractEpidemiologic evidence is limited about associations between T2DM, metformin, and the risk of non‐Hodgkin's lymphoma (NHL). We aimed to examine associations between T2DM, metformin, and the risk of NHL in the Women's Health Initiative (WHI) Study. Information on T2DM status (diabetes status/types of antidiabetic drug use/diabetes duration) from study enrollment and during follow‐up were assessed. Hazard ratios (HRs) and 95% confidence intervals (CIs) were calculated to evaluate associations of T2DM status with risks of overall NHL and its three major subtypes [diffuse large B‐cell lymphoma (DLBCL, n = 476), follicular lymphoma (FL, n = 301) and chronic lymphocytic leukemia/small lymphocytic lymphoma (CLL/SLL, n = 136)] based on multivariable‐adjusted Cox proportional hazards models. During a median follow‐up of 18.86 years (range, 0.01‐25.13; SD ± 6.55), a total of 1637 women developed NHL among 147 885 postmenopausal women. Women with T2DM and with self‐reported oral medication use had 38% and 55% higher risk of DLBCL, respectively [multivariable‐adjusted model HR = 1.38, 95% CI (1.06‐1.81) and HR = 1.55, 95% CI (1.16‐2.06)] compared to the reference group (nondiabetics/untreated diabetes). Risks of NHL and DLBCL [multivariable‐adjusted model: HR = 1.28, 95% CI (1.06‐1.54) and HR = 1.56, 95% CI (1.13‐2.14), respectively] were significantly higher in associations with relatively short duration (≤7 years) of diabetes, compared to reference group. Additionally, an increased risk of DLBCL [HR = 1.76, 95% CI (1.13‐2.75)] was found in metformin users compared to the reference group. Postmenopausal women who had T2DM, who were oral antidiabetic drug users, especially metformin, and who had a shorter diabetes duration may have higher risks of DLBCL. Further well‐designed research is needed to confirm our findings.
Role of Bcl‐2 inhibition in myelodysplastic syndromes
Authors: Blum Sabine , Tsilimidos Gerasimos , Bresser Helena , Lübbert Michael 
Published: November 2022

AbstractMyelodysplasic syndromes (MDS) are diseases occurring mainly in the elderly population. Although hematopoietic stem cell transplantation is the only hope for cure, a majority of the patients suffering from MDS are too old or frail for intensive treatment regimens such as intensive chemotherapy and transplantation. The gold standard for those patients is currently treatment with hypomethylating agents, although real‐life data could not reproduce the overall survival rates reported for the pivotal azacitidine phase III study. MDS treatment is often inspired by treatment for acute myeloid leukemia (AML). The new gold standard for elderly and frail patients not able to undergo intensive treatment regimens in AML is the combination of hypomethylating agents with venetoclax, a BCL‐2 inhibitor that also showed excellent treatment outcomes in other hematological malignancies. In this review, we explain the rationale for the use of venetoclax in hematological malignancies, study outcomes available so far and the current knowledge of its use in MDS.
The impact of pancreatic cancer screening on life expectancy: A systematic review of modeling studies
Authors: Koopmann Brechtje D. M. , Omidvari Amir‐Houshang , Lansdorp‐Vogelaar Iris , Cahen Djuna L. , Bruno Marco J. , de Kok Inge M. C. M. 
Published: November 2022

AbstractEvidence supporting the effectiveness of pancreatic cancer (PC) screening is scant. Most clinical studies concern small populations with short follow‐up durations. Mathematical models are useful to estimate long‐term effects of PC screening using short‐term indicators. This systematic review aims to evaluate the impact of PC screening on life expectancy (LE) in model‐based studies. Therefore, we searched four databases (Embase, Medline, Web‐of‐science, Cochrane) until 30 May 2022 to identify model‐based studies evaluating the impact of PC screening on LE in different risk populations. Two authors independently screened identified papers, extracted data and assessed the methodological quality of studies. A descriptive analysis was performed and the impact of screening strategies on LE of different risk groups was reported. Our search resulted in 419 studies, of which eight met the eligibility criteria (mathematical model, PC screening, LE). Reported relative risks (RR) for PC varied from 1 to 70. In higher risk individuals (RR > 5), annual screening (by imaging with 56% sensitivity for HGD/early stage PC) predicted to increase LE of screened individuals by 20 to 260 days. In the general population, one‐time PC screening was estimated to decrease LE (2‐110 days), depending on the test characteristics and treatment mortality risk. In conclusion, although the models use different and sometimes outdated or unrealistic assumptions, it seems that PC screening in high‐risk populations improves LE, and that this gain increases with a higher PC risk. Updated model studies, with data from large clinical trials are necessary to predict the long‐term effect of PC screening more accurately.
HPV‐negative high‐grade cervical precancerous lesions or invasive cancer in China: A post hoc analysis of a multicentric clinical study
Authors: Bao Heling , Zhao Yun , Zhang Xiaosong , Bi Hui , Cong Shu , Fang Liwen , Wang Hai‐Jun , Wang Linhong 
Published: November 2022

AbstractObjectiveTo evaluate HPV‐negative cervical high‐grade precancerous lesions or cancer in China.MethodsHistologically confirmed cervical intraepithelial neoplasia grade 2 or worse (CIN2+) were searched in a multicentric clinical study. All patients underwent cobas HPV testing, liquid‐based cytology, DNA ploidy analysis, and colposcopy‐guided biopsy. According to clinical practice, patients underwent p16ink4a staining and cone biopsy. Comparisons were made between HPV‐negative and ‐positive patients for clinical characteristics.ResultsThe study found 61 cases of cobas HPV‐negative CIN2+ among 797 cases of histologically confirmed CIN2+, including 38 CIN2, 20 CIN3, and 3 invasive cancers. The prevalence of HPV‐negative CIN2+ and CIN3+ was 7.7% (95% confidence interval [CI] 5.8–9.5) and 5.7% (95% CI 3.5–8.0), respectively. Among 24 cases with p16 staining, 20 showed p16 positivity. The proportions of normal or minor abnormalities in terms of colposcopy, cytology, and DNA ploidy were higher in HPV‐negative cases than in HPV‐positive cases. When adding cytology to the screening of symptomatic or previously HPV‐positive women, the prevalence of HPV‐negative CIN2+ or CIN3 would decrease by approximately 50%.ConclusionLess than one‐tenth of CIN2+ are missed by HPV‐only screening, and they have smaller lesions than HPV‐positive cases. Colposcopy should be considered for symptomatic or previously HPV‐positive women with HPV‐negative results.
Genetic influences on the interplay between obsessive‐compulsive behavior symptoms and cannabis use during adolescence
Authors: Kutzner Jodi , Elam Kit K. , Ha Thao 
Published: November 2022

AbstractIntroductionThere are overlapping biological origins and behaviors associated with obsessive‐compulsive symptoms (OCS) and cannabis use. There is also evidence that OCS and cannabis use are associated over time. Thus, we investigated polygenic predisposition for OCS as predictive of OCS and cannabis use from age 17 to 19. We hypothesized that greater genetic risk for OCS would predict both OCS and cannabis use.MethodsThe current study used participants from the Project Alliance 1 study, a US‐based sample, for whom genomic, OCS, and cannabis use data were available (n = 547). Polygenic risk scores (PRS) were formed via a meta‐genome‐wide association study on OCS and examined as a predictor of OCS and cannabis use at age 17 and 19. The sample was diverse (52.4% male; 45% European American, 30% African American, 14% multiracial, 5% Hispanic/Latino, 4% Asian American, and 2% other groups). Sensitivity analysis was performed by gender for European American and African American subsamples.ResultsAcross the whole sample, the greater polygenic risk for OCS was negatively associated with cannabis use at age 17 and positively associated with OCS at 19. Cannabis use at age 17 was positively associated with OCS at age 19. The association between polygenic risk for OCS and cannabis use at age 17 was replicated in European American males, whereas the association between cannabis use at age 17 and OCS at age 19 was replicated in African American males.ConclusionsCannabis use may exacerbate OCS through adolescence, and genetic predisposition for OCS may be associated with lower cannabis use in efforts to avoid exacerbation of OCS.
GAMaterial—A genetic‐algorithm software for material design and discovery
Authors: Lourenço Maicon Pierre , Hostaš Jiří , Herrera Lizandra Barrios , Calaminici Patrizia , Köster Andreas M. , Tchagang Alain , Salahub Dennis R. 
Published: November 2022

AbstractGenetic algorithms (GAs) are stochastic global search methods inspired by biological evolution. They have been used extensively in chemistry and materials science coupled with theoretical methods, ranging from force‐fields to high‐throughput first‐principles methods. The methodology allows an accurate and automated structural determination for molecules, atomic clusters, nanoparticles, and solid surfaces, fundamental to understanding chemical processes in catalysis and environmental sciences, for instance. In this work, we propose a new genetic algorithm software, GAMaterial, implemented in Python3.x, that performs global searches to elucidate the structures of atomic clusters, doped clusters or materials and atomic clusters on surfaces. For all these applications, it is possible to accelerate the GA search by using machine learning (ML), the ML@GA method, to build subsequent populations. Results for ML@GA applied for the dopant distributions in atomic clusters are presented. The GAMaterial software was applied for the automatic structural search for the Ti6O12 cluster, doping Al in Si11 (4Al@Si11) and Na10 supported on graphene (Na10@graphene), where DFTB calculations were used to sample the complex search surfaces with reasonably low computational cost. Finally, the global search by GA of the Mo8C4 cluster was considered, where DFT calculations were made with the deMon2k code, which is interfaced with GAMaterial.
Interfacial characteristics of BIOfactor MTA and Biodentine with dentin
Authors: Akbulut Makbule Bilge , Mutlu Şeref Nur , Soylu Mehmet Ali , Şimşek Emine 
Published: November 2022

AbstractThe objective of this study was to characterize the interface between dentin and MTA‐Angelus (Angelus, Londrina, Brasil), Biodentine (Septodont, France) and BIOfactor MTA (Imicryl, Konya, Turkey) using scanning electron microscopy (SEM), energy disperse X‐ray spectroscopy (SEM‐EDS) and confocal laser scanning microscopy (CLSM). Fifteen dentin segments were obtained from previously extracted single‐rooted human teeth. Canal lumens were instrumented with diamond burs and then randomly filled with MTA‐Angelus, Biodentine or BIOfactor MTA and placed in distilled water or Hanks' Balanced Salt Solution (HBSS) for 28‐days. The samples were examined with SEM and the thickness of the interfacial layer measured. SEM‐EDS analysis was performed to determine principal elemental composition of the material, dentin, and interfacial area. The marginal adaptation of cements to dentin was assessed by confocal microscopy and the percentage of material penetration was calculated. An interfacial layer was evident in approximately 70% of SEM images in both MTA‐Angelus and BIOfactor samples. The thickness of interfacial layer was significantly higher in HBSS than in distilled water for all groups. MTA Angelus resulted in the thickest interfacial layer in distilled water while Biodentine had the thickest interfacial layer in HBSS. Calcium levels within the BIOfactor MTA–dentin interface were higher than both dentin and cement. Dentin penetration was higher in BIOfactor MTA and silicon was evident in all material‐dentin interfaces. All calcium silicate‐based materials promoted the formation of an interfacial layer. BIOfactor MTA exhibited promising characteristics with its good marginal adaptation even though it presented a moderately thick interfacial layer.Research Highlights
A distinguishable interfacial layer was observed in most of the samples within the BIOfactor MTA, MTA‐Angelus and Biodentine groups.
The elemental constitution of the interfacial layer was different from that of the calcium silicate based materials.