bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mitigation of Edge and Surface States Effects in Two‐Dimensional WS2 for Photocatalytic H2 Generation
Authors: Franklin Giovanna Formiga , Balocchi Andrea , Taberna Pierre‐Louis , Barnabe Antoine , Barbosa Juliana Barros , Blei Mark , Tongay Sefaattin , Marie Xavier , Urita Koki , Chane‐Ching Jean Yves 
Published: March 2022

AbstractLarge scale development of the 2D transition metal di‐chalcogenides (TMDC) relies on landmark improvement in performance, which could emerge from nanostructuration. Using p‐WS2 nanoflakes with different degrees of exfoliation and fracturing, perspectives were provided to develop high‐surface‐area 2D p‐WS2 films for the photocatalytic hydrogen generation. The critical role of inter‐nanoflakes contacts within high‐surface‐area 2D films was demonstrated, highlighting the benefit of plane/plane versus edge/plane contacts. Evidence of the high density of surface states displayed by these 2D films was provided through electrochemical measurements. In addition to operating as recombination centers, the surface states were shown to give rise to deleterious Fermi‐level pinning (FLP), which dramatically decreased the efficiency of charge carrier separation. Lastly, promising strategies yielding FLP suppression via surface states modification were proposed. In particular, use of a multifunctional ultrathin film displaying healing, catalytic, and n‐type semiconduction properties was shown to greatly enhance charge carrier separation and transport to the photo‐electrode/electrolyte interface. When the 2D photoelectrodes were fabricated with the above prerequisites (i. e., a high proportion of plane/plane contacts and a successful surface states chemical modification), a photocurrent up to 4.5 mA cm−2 was achieved for the first time on 2D p‐WS2 photocathodes for hydrogen generation.
Monitoring the Substrate‐Induced Spin‐State Distribution in a Cobalt(II)‐Salen Complex by EPR and DFT
Authors: Magri Giuseppina , Folli Andrea , Murphy Damien M. 
Published: March 2022

AbstractGround state changes of (R,R’)‐N,N’‐bis(3,5‐di‐tert‐butylsalicylidene)‐1,2‐cyclohexane‐diamino Co(II), following coordination of various pyridyl substrate has been examined by CW EPR, pulsed relaxation measurements and DFT. The solution‐based Co(II) complex possesses a low spin (LS) state
(with g‐values of 1.96, 1.895, 3.14). Upon coordination of the pyridyl substrate, the resulting bound adduct reveals a distribution of LS ‘base‐on’ species, possessing a
electronic ground state (with g‐values of 2.008, 2.2145, 2.46) and a high spin (HS) species (with geff=4.6). DFT indicated that the energy gap between the LS and HS state is dramatically lowered (ΔE<25 kJ mol−1) following substrate coordination. DFT suggests the main geometrical difference between the LS and HS systems is the severe puckering of the N2O2 ligand backbone. The results revealed a tentative dependency on the pKa−H of the substrates for the spin distribution where, in most cases, the higher pKa−H substrate values favoured the HS species.
What Do Genomics Studies Really Mean? A New Resource
Authors: Gilbert Susan 
Published: March 2022

AbstractResearch on how genetics contribute to human behavior and achievement raises many bioethical questions. What are we to make, for example, of a study published last year that found that students with genetic variants associated with educational attainment (years of education) took more advanced math classes in ninth grade? Does this finding have implications for education practice? Should it? How so? Questions like these serve as reminders that genetic science has long been misused to draw conclusions about individuals and groups of people, conclusions laced with racism and other biases. As research on human genomics ramps up, now is the time to ramp up science communication about what these studies do and, importantly, do not show. A new feature on The Hastings Center's website does just that.
Knowledge, attitude and practice survey towards COVID‐19 vaccination: A mediation analysis
Authors: Sengupta Mitali , Dutta Smita , Roy Arijit , Chakrabarti Satyajit , Mukhopadhyay Indraneel 
Published: March 2022

AbstractBackground and AimThe COVID‐19 pandemic has significantly impacted human lives across the world. In a country like India, with the second highest population in the world, impact of COVID‐19 has been diverse and multidimensional. Under such circumstances, vaccination against COVID‐19 infection is claimed to be one of the major solutions to contain the pandemic. Understanding of Knowledge, Attitude and Practice (KAP) measures are essential prerequisites to design suitable intervention programs. This paper examines the different KAP factors in Indians towards their decision of vaccine uptake.MethodAn online questionnaire was administered to Indian respondents. (Pilot study: n = 100, Main study: n = 221) to assess their existing knowledge on COVID‐19 infections and vaccination, attitude and intentions towards COVID‐19 vaccines and their decision towards COVID‐19 vaccine uptake.ResultThe findings highlighted that existing knowledge on COVID‐19 infections and vaccination directly impacted their attitude and intention towards vaccination. The attitude and intention towards COVID‐19 vaccines directly impacted their practice of undergoing COVID‐19 vaccination. Further, there was a statistically significant and considerably large indirect effect of existing knowledge on COVID‐19 infections and vaccination on the practice of undergoing COVID‐19 vaccination through attitude and intention towards the vaccine. There was no direct effect of Knowledge (existing knowledge on COVID‐19 infections and vaccination) on Practice (decision to undergo COVID‐19 vaccination). Therefore, Attitude and intention towards COVID‐19 vaccine is the primary mediator between Knowledge (existing knowledge on COVID‐19 infections and vaccination) and Practice (decision to undergo COVID‐19 vaccination).ConclusionParticipants decision towards COVID‐19 vaccination decisions are strongly related to their attitude and intentions that confirms the strong role of attitude towards success of COVID‐19 vaccination programme. Therefore, ‘person‐centric’ attitude based positive intervention strategies that links their prior knowledge on COVID‐19 infections and vaccination must be designed for greater vaccine acceptance amongst Indians.
Emerging mycotoxins and reproductive effects in animals: A short review
Authors: Chiminelli Ilaria , Spicer Leon J. , Maylem Excel R. S. , Caloni Francesca 
Published: March 2022

AbstractEmerging Fusarium mycotoxins beauvericin (BEA), enniatins (ENNs), and moniliformin (MON) are gaining increasing interest due to their wide presence especially in cereals and grain‐based products. In vitro and in vivo studies indicate that Fusarium mycotoxins can be implicated in reproductive disorders in animals. Of these mycotoxins, BEA may affect reproductive functions, impairing the development of oocytes in pigs and sheep. Studies show dramatic inhibitory effects of BEA and ENNA on bovine granulosa cell steroidogenesis. ENNs also inhibit boar sperm motility and cause detrimental effects on embryos in mice and pigs. Although little data are reported on reproductive effects of MON, in vitro studies show inhibitory effects of MON on Chinese hamster ovary cells. The present review aims to summarize the reproductive toxicological effects of emerging Fusarium mycotoxins BEA, ENNs, and MON on embryo development, ovarian function, and testicular function of animals. In vitro and in vivo toxicological data are reported although additional studies are needed for proper risk assessment.
Separation of hydrocarbon mixture of neopentane and n‐hexane using NaY zeolite: Large distinct diffusivity
Authors: Nag Shubhadeep , Subramanian Yashonath 
Published: March 2022

AbstractA recently proposed method based on Levitation and Blow torch effects, is employed here to see if it can separate a mixture of neopentane and n‐hexane. The results show that the mixture can be separated with a hot zone temperature of just 40 K above the ambient temperature, 300 K. The two components are found to accumulate at the two extreme ends of the zeolite column. The computed separation factor is in the range of 1015–1020 (as compared to 104 for existing separation methods). The energy expense for the separation is significantly smaller than for existing separation methods by several orders of magnitude. Transport (D11), self (Ds), and distinct diffusivities (Dd) of the mixture were computed. The contribution of distinct diffusivity to the transport diffusivity is 70% as compared to 10%–30% seen in other separation methods and is larger by 2.3 times as compared to the self‐diffusivity.
Non‐convulsive epilepsy with acute‐onset and short‐lasting repeated fatigue attacks: A case of 30‐year‐old man
Authors: Akimoto Takashi , Kobayashi Tadashi , Maita Hiroki , Osawa Hiroshi , Kato Hiroyuki 
Published: March 2022

AbstractA 30‐year‐old man was referred to our department because of repeated acute‐onset and short‐lasting fatigue attacks, which occurred from 3 months before the referral. He had no abnormal findings in blood tests, electrocardiogram (including 24‐ h monitoring), or head MRI (including angiography). His vital signs were unremarkable, and his physical examination revealed no abnormal findings. Detailed history‐taking with closed‐ended questions revealed the occurrence of tingling sensation from the right fingers as the aura before his attacks. Electroencephalography was performed, which revealed focal epilepsy. Levetiracetam resolved his symptoms. Physicians could consider non‐convulsive epilepsy as a potential cause of repeated acute‐onset and short‐lasting fatigue attacks of unknown etiology after underlying conditions, such as metabolic diseases, have been ruled out.
The importance of retaining physical functions to prevent skeletal‐related events in multiple myeloma patients with bone disease
Authors: Miki Hirokazu , Nakamura Shingen , Oura Masahiro , Nakamura Masafumi , Sumitani Ryohei , Sogabe Kimiko , Takahashi Mamiko , Maruhashi Tomoko , Harada Takeshi , Fujii Shiro , Hamano Hirofumi , Kondo Masateru , Okada Naoto , Endo Itsuro , Abe Masahiro 
Published: March 2022

AbstractThis study was undertaken to identify baseline conditions and triggering factors for skeletal‐related events (SRE) in multiple myeloma (MM) patients treated with denosumab. During the median follow‐up of 17 months, SRE occurred in 6 out of 52 newly diagnosed patients and in 5 out of 23 relapsed/refractory patients. Bone fractures occurred by falling down due to orthostatic hypotension and/or muscle weakness in three out of four cases with amyloid light‐chain (AL) amyloidosis. A loss of balance and falling down appear to be triggering factors for SRE, especially in frail MM patients with AL amyloidosis, indicating the importance of retaining physical functions to prevent SRE.
Novel mutations in the HADHB gene causing a mild phenotype of mitochondrial trifunctional protein (MTP) deficiency
Authors: Ørstavik Kristin , Arntzen Kjell Arne , Mathisen Per , Backe Paul Hoff , Tangeraas Trine , Rasmussen Magnhild , Kristensen Erle , Van Ghelue Marijke , Jonsrud Christoffer , Bliksrud Yngve Thomas 
Published: March 2022

AbstractMitochondrial trifunctional protein (MTP) deficiency is an ultrarare hereditary recessive disorder causing a broad spectrum of phenotypes with lethal infantile cardiomyopathy at the most severe end. Attenuated forms with polyneuropathy have been reported combined with myoglobinuria or rhabdomyolysis as key features. We here report three young adults (two siblings) in which three variants in the HADHB‐gene were identified. All three cases had a similar mild phenotype with axonal neuropathy and frequent intermittent weakness episodes but without myoglobinuria. Special dietary precautions were recommended to minimize complications especially during infections and other catabolic states. MTP deficiency is therefore an important differential diagnosis in patients with milder fluctuating neuromuscular symptoms.Take‐home messageAxonal neuropathy and recurrent muscular weakness without concomitant rhabdomyolysis may be due to MTP deficiency.
Design of type‐2 fuzzy logic controller optimized with firefly algorithm for maximum power point tracking of photovoltaic system based on super lift Luo converter
Authors: Kececioglu O. Fatih 
Published: March 2022

AbstractThe efficiency is a very important parameter for photovoltaic systems. Positive output elementary super lift Luo converter classified as high gain DC‐DC converter are used in photovoltaic systems because of their advantages such as high efficiency, reduced ripples, and low switching loss. The drawback of the photovoltaic system based on this converter is its sensitivity to small changes on the control signal. Both maximum power point tracking and control signal stability require a powerful control system as this is a challenging task for the photovoltaic system. Interval type‐2 fuzzy logic systems have recently been utilized in many control processes due to their ability to model uncertainties better than type‐1 fuzzy logic systems. In this work, interval type‐2 Takagi–Sugeno–Kang fuzzy logic controller was first designed as a controller. Then, the controller, which was proposed for this paper, was optimized with the Firefly Algorithm to improve the control performance. Performance of controllers is evaluated via comparative simulation studies under the most demanding environmental conditions. It has been observed that the proposed controller reduces the settling time by more than 50% and increases the efficiency up to 10% according to the simulation situations.
Reduction of aflatoxin in freshly harvested maize using solar dryers
Authors: Oni Eniola O , Komolafe Clement A , Badmos Amina O , Kareem Sarafadeen O , Waheed Mufutau A , Oluwafemi Flora 
Published: March 2022

AbstractBACKGROUNDAflatoxin‐contaminated grain consumption over the years has been known to result in serious health hazards for its consumers. The present study investigated the effects of harvest seasons and drying methods on aflatoxins in freshly harvested maize. A 2 × 3 × 3 × 3 × 3 factorial design was used; two harvesting seasons (dry and wet), maize varieties (P3966W, P4063W and P4226), moisture contents (0.15, 0.12, and 0.10 g kg−1), modern fabricated solar dryer (MFSD), hybrid biomass dryer (HBD) and open‐air drying (OAD) methods, and packaging materials (plastic, jute and polyethylene bag) were studied, respectively. In total, 162 samples (n = 162) of maize grains (250 g each) were dried. The freshly harvested maize was shelled, dried, stored and analyzed for aflatoxins using high‐performance liquid chromatography. The data obtained were subjected to statistical analysis.RESULTSP3966W and P4063W with an initial moisture content of (0.226 and 0.234 g kg−1) reached a safe level of 0.10 g kg−1 using MFSD within 2–3 days, HBD within 2–3 days and OAD within 5 days. Variety P4226 with an initial moisture content of 0.228 g kg−1 reached a safe moisture level of 0.10 g kg−1 in 2, 3, and 7 days using MFSD, HBD and OAD, respectively. Aflatoxin concentration (56.00 ± 8.89 μg kg−1) was highest in P4063W at 0.15 g kg−1 moisture content, which exceeded the maximum permissible limits of 4 μg kg−1 recommended by the World Health Organization.CONCLUSIONVariety, type of dryer and season affect aflatoxin contamination of maize. The adoption of MFSD drastically reduced the duration of drying and consequently controlled contamination by aflatoxins. © 2022 Society of Chemical Industry.
Effect of enzymatic hydrolysis conditions on structure of soy protein isolate/gum arabic complex and stability of oil‐in‐water emulsion
Authors: Zhao Xiaoming , Zheng Huanyu , Sun Yuanda , Zhang Meng , Geng Mengjie , Li Yang , Teng Fei 
Published: March 2022

AbstractBACKGROUNDThe emulsifying, antioxidant and foaming properties of soy protein isolate hydrolysates (SPH) can be improved by the addition of gum arabic (GA). We investigated the effects of different hydrolysis conditions on the complexation of SPH and GA, and the effects of the complex on the properties of emulsions.RESULTSFluorescence spectroscopy showed that the addition of GA had a stronger effect on bromelain and pepsin hydrolysates than trypsin hydrolysate, and therefore had a higher binding constant (KA) and a larger number of binding sites (n). The addition of GA could also improve protein solubility and emulsifying ability. The emulsions prepared with complexes, especially the complex of GA and SPH obtained by pepsin hydrolysis for 3 h, had a high absolute charge value, uniform particle size distribution, stable morphology, and good storage stability. After storage, the emulsification index (CI) of the emulsion only increased to 23.08%; its 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) free radical scavenging activity was 24.37 ± 1.22% and its 2,2'‐Azinobis‐(3‐ethylbenzthiazoline‐6‐sulphonate) (ABTS+) free radical scavenging activity was largely retained.CONCLUSIONDuring long‐term storage, pepsin‐treated protein (especially protein treated for 3 h) and GA can form a stable emulsion with antioxidant properties. This work provides new ideas for the development of natural and safe emulsifiers that have antioxidant properties and can be stored long‐term and used in the food industry. © 2022 Society of Chemical Industry
Virtual reality interventions for victims of crime: A systematic review
Authors: Parmigiani Giovanna , Tortora Leda , Meynen Gerben , Mandarelli Gabriele , Ferracuti Stefano 
Published: March 2022

AbstractIn the forensic field, most studies employing virtual reality (VR) interventions have focused on offenders. The validity and safety of VR applications for victims of crime are still unclear. Following PRISMA guidelines, a systematic review on VR interventions for crime victims was performed to assess the efficacy, acceptability by patients, and cost‐effectiveness of these interventions compared to in‐person care. We identified 34 potentially eligible studies from 188 records obtained from database searches (Medline/Pubmed, CINAHL, PsycINFO, Web of Science, and Scopus); four additional articles were identified via alternative sources. In total, nine articles were included for the qualitative synthesis. Patient satisfaction with VR interventions was found to be equivalent to face‐to‐face interventions. Both VR exposure and control groups found relief from posttraumatic symptoms, with differences either statistically insignificant or in favor of VR. Despite the increased costs linked to the technology required, VR appears to be a promising alternative to in vivo exposure, but further research is needed. Limitations of the review include the varied experimental protocols, which did not allow us to conduct a quantitative analysis and comparison of findings across different studies, and the generally poor quality of the studies included. Further research, preferably in larger groups, is needed to shed more light on the effectiveness of VR interventions for traumatized victims of crime.
Use of 223Ra and 224Ra as chronometers to estimate the residence time of Amazon waters on the Brazilian continental shelf
Authors: Léon Morgane , van Beek Pieter , Scholten Jan , Moore Willard S. , Souhaut Marc , De Oliveira Joselene , Jeandel Catherine , Seyler Patrick , Jouanno Julien 
Published: March 2022

AbstractWhen rivers mix into the ocean, radium isotopes are released into the dissolved phase allowing us to apply these isotopes as powerful tracers of river plumes spreading into the ocean. We report 223Ra and 224Ra radium activities that were determined in the Amazon River mouth and along the Amazon plume that extends off the coasts of Brazil and French Guyana into the Atlantic Ocean. We summarize 223Ra and 224Ra data from AmasSeds (1991), AMANDES (GEOTRACES process study GApr01; 2007–2008) and M147 (2018) projects, which were conducted in different seasons corresponding to different Amazon discharge rates. We determined the 224Raex/223Ra activity ratios (AR) along the Amazon plume to derive apparent ages and to estimate the residence time of the Amazon waters on the Brazilian continental shelf. Our data suggest that it takes 9–14 d for the Amazon waters to reach the northern continental shelf off French Guyana and 12–21 d to reach the eastern part of the Brazilian continental shelf. These time scales are in good agreement with those derived from a high‐resolution numerical simulation of the regional ocean dynamics. We do not find any relationship between the discharge rate of the Amazon River and the residence time of the waters on the Brazilian continental shelf, suggesting that the residence time of the Amazon waters is primarily driven by the ambient northwestward current. Using the apparent ages along the plume, we estimate an average velocity of 26 cm s−1 for the northward transport of the Amazon waters on the continental shelf.
Elucidating structure and dynamics of crystalline α‐zirconium phosphates intercalated with water and methanol by multinuclear solid‐state MAS NMR: A comprehensive NMR approach
Authors: Bakhmutov Vladimir I. , Contreras‐Ramirez Aida , Drake Hannah , Zhou Hong‐Cai 
Published: March 2022

AbstractSolid‐state NMR experiments on 2H, 31P, 13C, and 1H nuclei, including 31P T1, 1H T1, and 1H T1ρ measurements, as well as on the kinetics of proton‐phosphorus cross‐polarization have been performed to characterize the crystalline and amorphous α‐zirconium phosphates, which were intercalated with D2O and/or CD3OD. The 13C{1H} CP MAS NMR experiment performed for compound 1‐CD3OD (Zr (HPO4)2.0.2CD3OD) with carbon cross‐polarization via protons of phosphate groups has provided a prove that the methanol was intercalated into the interlayer spaces of this compound. The variable‐temperature 2H solid‐echo MAS NMR spectra of intercalated compounds demonstrated that the methanol molecules, in contrast to the mobile water, were immobile, keeping, however, free CD3 rotations around the C3‐axis. It has been demonstrated that the intercalated species, D2O and CD3OD, do not affect the high‐frequency motions of the phosphate groups. By utilizing local structural models that satisfy the constraints of the experimental data, it has been suggested that the immobile methanol molecules are located in the cavity between two neighboring layers of the zirconium phosphates. Thus, the present work illustrates the reliable criteria in a comprehensive NMR approach to structural and dynamic studies of such systems.
Lösungsmittel: Weder Dystopie noch Nirwana
Authors: Fleck Nico 
Published: March 2022

AbstractDie Bemühungen um Nachhaltigkeit beeinflussen die chemische Industrie, in der organische Lösungsmittel einen Großteil der Abfälle ausmachen. Mit speziellen Tensiden lässt sich Wasser als Reaktionsmedium nutzen. Dies macht die organische Synthese weniger umweltschädlich.
Hochschuldidaktik: Oberflächenverstärkte Effekte auf Gold‐ und Silberelektroden
Authors: Habekost Achim 
Published: March 2022

AbstractMit einer einfachen elektrochemischen Modifikation lässt sich der oberflächenverstärkte Ramaneffekt (Sers) im Hochschulpraktikum nutzen, um geringe Konzentrationen auf Elektroden zu messen. Versuche aus einem Experimentalkurs „Physikalische Chemie” für Bachelorstudierende.
Ein Stammbaum aller Arten
Authors: Groß Michael 
Published: March 2022

AbstractMehr als zwei Millionen biologische Arten sind offiziell identifiziert und mit Namen ausgestattet. Wir wissen, dass sie miteinander verwandt sind, aber einen Stammbaum zu erstellen, ist schwierig. Eine webbasierte Lösung bringt nun alle in einem Format unter, das von Google Earth inspiriert ist.
"Wir wollten etwas lernen" – Interview mit Ulrich Pöschl
Authors: Zbikowski Frauke 
Published: March 2022

AbstractDer Chemiker Ulrich Pöschl hat mit Kollegen am Max‐Planck‐Institut für Chemie in Mainz eine Lüftungsanlage aus Baumarktteilen entwickelt. Das Ziel: Klassenräume in der Coronapandemie sicherer machen.