bluuebunny/crossref_metadata_2025 huggingface dataset:
Data‐driven prediction and optimization of liquid wettability of an initiated chemical vapor deposition‐produced fluoropolymer
Authors: Schwartz Daniel , Nguyen Tien , Chen Zhengtao , Lau Kenneth K. S. , Grady Michael C. , Shokoufandeh Ali , Soroush Masoud
Published: March 2022

Initiated chemical vapor deposition (iCVD) is a reactive process that creates polymeric materials on a surface from vapor‐phase monomers and thermal initiators. Our iCVD synthesis of poly(perfluorodecyl acrylate) (PPFDA) resulted in the growth of micro‐ and nano‐worms normal to the surface. The micro‐ and nanostructures of the worms directly depend on iCVD process conditions. They in turn influence bulk properties such as their liquid wettability. The current absence of a physiochemical model that can explain the relationships between iCVD process conditions and bulk properties of the polymers motivates the use of data‐driven modeling to capture and describe the relationships. In this work, we report iCVD data (contact angles of heptane, octane, and water on PPFDA and process conditions) from 49 batches and use artificial neural networks to model the relationships. The models are then used to determine the optimal iCVD process conditions that maximize the contact angles on PPFDA.
Working with Waiver: Supreme Court to Review Law on When an Employer Drops and then Reinstates Arbitration
Authors: Frankel Richard
Published: March 2022

The U.S. Supreme Court is set to hear oral argument in Morgan v. Sundance Inc., No. 21‐328 (the Court's docket page is available at https://bit.ly/3ERZkUL).
Chiral Symmetry Breaking of Monoacylated Anhydroerythritols and meso‐1,2‐Diols through Crystallization‐Induced Deracemization
Authors: Sanada Kazutaka , Washio Aoi , Ishikawa Hiroki , Yoshida Yasushi , Mino Takashi , Sakamoto Masami
Published: March 2022

We developed a chiral symmetry breaking method for monoacylated meso diols. The X‐ray crystal structure analysis of monoacylated 1,4‐anhydroerythritols, meso cyclic diols with a cis configuration, revealed that the O‐(p‐anisoyl) derivative crystallized as a racemic conglomerate of the P212121 crystal system. It was confirmed that the substrate racemized by intramolecular transfer of the acyl group in the presence of a catalytic amount of base. Evaporating the solvent gradually from the solution or Viedma ripening to promote crystallization‐induced deracemization efficiently led to enantiomer crystals. These results provide the first successful example of asymmetric expression and amplification by deracemization of sugar derivatives without an external chemical chiral source. Furthermore, we applied this methodology to acyclic meso‐1,2‐diols. Three O‐monoacylated substrates were successfully deracemized to 99 % ee by Viedma ripening. We also developed asymmetric desymmetrization of meso‐1,2‐diols by combining acylation and crystallization‐induced deracemization.
Intramolecular Partners in Asymmetric Catalysis Copolymerization: Highly Enantioselective and Controllable at Enhanced Temperatures and Low Loadings
Authors: Li Yi‐Ning , Liu Ye , Yang Han‐Han , Zhang Wen‐Fu , Lu Xiao‐Bing
Published: March 2022

Asymmetric copolymerization of meso‐epoxide and anhydride is a powerful strategy for preparing various isotactic polyesters with two contiguous stereogenic centers. However, the previous binary systems suffered from slow rates at low loadings, poor enantioselectivities and transesterification reactions at enhanced temperatures. Herein, we report novel dinuclear aluminium complexes with multiple chiralities and ammonium salts anchored on ligand frameworks. These bifunctional catalysts exhibit high activities and enantioselectivities for epoxides/anhydrides copolymerizations at harsh conditions via intramolecularly synergistic catalysis, affording polyesters with unprecedented molecular weights and narrow distributions. Notably, no transesterification reactions were observed, significantly different from the binary catalyst/cocatalyst pairs. This study represents a rare example regarding temperature‐independent asymmetric induction for preparing chiral polymers from achiral monomers.
Studying the Key Intermediate of RNA Autohydrolysis by Cryogenic Gas‐Phase Infrared Spectroscopy
Authors: Greis Kim , Kirschbaum Carla , Taccone Martín I. , Götze Michael , Gewinner Sandy , Schöllkopf Wieland , Meijer Gerard , von Helden Gert , Pagel Kevin
Published: March 2022

Over the course of the COVID‐19 pandemic, mRNA‐based vaccines have gained tremendous importance. The development and analysis of modified RNA molecules benefit from advanced mass spectrometry and require sufficient understanding of fragmentation processes. Analogous to the degradation of RNA in solution by autohydrolysis, backbone cleavage of RNA strands was equally observed in the gas phase; however, the fragmentation mechanism remained elusive. In this work, autohydrolysis‐like intermediates were generated from isolated RNA dinucleotides in the gas phase and investigated using cryogenic infrared spectroscopy in helium nanodroplets. Data from both experiment and density functional theory provide evidence for the formation of a five‐membered cyclic phosphate intermediate and rule out linear or six‐membered structures. Furthermore, the experiments show that another prominent condensed‐phase reaction of RNA nucleotides can be induced in the gas phase: the tautomerization of cytosine. Both observed reactions are therefore highly universal and intrinsic properties of the investigated molecules.
Gadolinium Changes the Local Electron Densities of Nickel 3d Orbitals for Efficient Electrocatalytic CO2 Reduction
Authors: Liu Weiqi , Bai Peiyao , Wei Shilin , Yang Chuangchuang , Xu Lang
Published: March 2022

Generally, in terms of electrocatalytic CO2 reduction, single‐atom catalysts show high selectivities yet low current densities whereas conventional nanoparticle catalysts exhibit relatively high current densities but low selectivities. This work combines the advantages of the two classes of catalysts by constructing a Ni‐Gd‐N‐doped carbon black electrocatalyst within which NiI active sites are exposed outside the carbon layers and Ni nanoparticles are encapsulated inside the carbon layers. The Gd atoms can not only influence the local electron densities of Ni 3d orbitals, thus strengthening the electronic activity, but also tailor the sizes of the Ni nanoparticles, thereby minimizing the activity toward hydrogen evolution. Accordingly, this electrocatalyst yields both a high CO faradaic efficiency (97 %) and a large current density (308 mA cm−2), alongside an outstanding stability (100 h).
Near total intrathoracic airway obstruction managed with a Tritube® and flow‐controlled ventilation
Authors: Mallam L. , Massingberd‐Mundy D. , Girgis M. , De Zoysa N.
Published: March 2022

We describe the management of a case of near total airway obstruction in a 79‐year‐old man who presented with a two‐week history of increasing shortness of breath and stridor. Computed tomography imaging revealed a mid‐tracheal mass of unknown aetiology with critical airway obstruction. We secured the patient’s airway using a Tritube® (Ventinova, Eindhoven, the Netherlands). While this facilitated a secure airway past the lesion, various issues were encountered which complicated the safe conduct of anaesthesia. We conclude that while the Tritube, used in conjunction with a proprietary flow‐controlled ventilation system (Evone®, Ventinova Eindhoven, the Netherlands) are useful for critical airway obstruction, they can be problematic and thorough planning is essential.
Evaluation of sensitive physical parameter combinations for determining the uncertainty of fire simulations and predictions in China
Authors: Sun Guodong
Published: March 2022

Fires are fundamental and natural phenomena that affect terrestrial ecosystems and the global climate change. However, uncertainties in fire modeling still exist. It is important to improve the ability to simulate fires by tuning model parameters. In this study, a sensitivity analysis (SA) approach based on the conditional nonlinear optimal perturbation related to parameters (CNOP‐P) is employed to find the most sensitive parameter subset. First, the maximum uncertainty in modeling fire is estimated, and it is found that the degrees of uncertainty in modeling fire are different in different regions of China. The extents of the uncertainties in modeling fire in northeastern China and northern China with arid and semiarid climate conditions are greatest, and the magnitude of the uncertainty in southern China is the smallest. The uncertainty in modeling fires in northern China with a semihumid climate condition is between the above values. Second, we find that the most sensitive parameter combination with the number of elements determined by the SA method based on the CNOP‐P approach are different from the top five parameters combination via a sensitivity test using a traditional method (such as the one‐at‐a‐time [OAT] method). The most sensitive parameter combination includes not only the parameters in the fire module (e.g., ) but also the parameters that could cause variations in biomass and soil moisture. The prediction skill of fire by reducing the errors of the sensitive parameter combination using the SA method based on the CNOP‐P method are higher than those using the OAT method. The above results suggest that not only the parameters in the fire module but also the parameters of other physical processes (e.g., biomass and soil moisture) should be corrected and calibrated to improve simulation and prediction of fire.
Social orienting and initiated joint attention behaviors in 9 to 12 month old children with autism spectrum disorder: A family home movies study
Authors: Palomo Rubén , Ozonoff Sally , Young Gregory S. , Belinchón Carmona Mercedes
Published: March 2022

According to the Social Motivation model children with autism show deficits in social orienting (looking at faces and responding to name) at the end of their first year of life. In this model, those deficits are both the earliest behavioral consequences of an alteration in the dopamine reward system balance and the foundation of the social impairments that characterize this neurodevelopmental disorder. The current study tests two of the main predictions of this model: that social orienting deficits are the first behavioral manifestation of autism, and that they are developmentally related to joint attention deficits. We retrospectively analyzed family home movies of 9‐ to 12‐month‐old infants, 29 of whom were later diagnosed with autism and 16 of whom were typically developing. After confirming that the videotapes of both groups were similar in content of the scenes recorded (contexts, type of social activity, etc.), we compared their social orienting (social gaze and responding to name) and joint attention behaviors (gaze alternation and gestures). No significant differences between groups were found in looking at faces, but the group with autism showed deficits in responding to name and initiations of joint attention (IJA). Looking at people was not significantly correlated with IJA behaviors, but response to name was. The lack of group differences in looking at faces between 9 and 12 months, and the existence of IJA difficulties in the ASD group without concurrent impairment in looking at faces, do not support predictions of the Social Motivation model.

Lay Summary

Various theories have been proposed to explain the emergence of autism symptoms early in life. This study tested two key predictions of the Social Motivation model. Comparing family movies of children 9‐ to 12‐months‐old later diagnosed with autism or with typical development, we did not observe difficulties in looking at other people's faces but children with autism responded to name and used gaze and gestures to direct the adult's attention to events of interest less frequently. This absence of difficulties in looking at faces does not fit with what the Social Motivation model of autism predicts and therefore we must develop alternative explanations.
Developing a new treatment for superficial fungal infection using antifungal Collagen‐HSAF dressing
Authors: Zhong Jing , Yan Xiayi , Zuo Xin , Zhao Xuan , Yang Jiahui , Dou Qin , Peng Lulu , Zhu Yuxiang , Xiao Yichen , Bian Zeran , He Dalian , Xu Qiushuang , Wright Stephen , Li Yaoyao , Du Liangcheng , Wang Yan , Yuan Jin
Published: March 2022

Fungal pathogens are common causes of superficial clinical infection. Their increasing drug resistance gradually makes existing antifungal drugs ineffective. Heat stable antifungal factor (HSAF) is a novel antifungal natural product with a unique structure. However, the application of HSAF has been hampered by very low yield in the current microbial producers and from extremely poor solubility in water and common solvents. In this study, we developed an effective mode of treatment applying HSAF to superficial fungal infections. The marine‐derived Lysobacter enzymogenes YC36 contains the HSAF biosynthetic gene cluster, which we activated by the interspecific signaling molecule indole. An efficient extraction strategy was used to significantly improve the purity to 95.3%. Scanning electron microscopy images revealed that the Type I collagen‐based HSAF (Col‐HSAF) has a transparent appearance and good physical properties, and the in vitro sustained‐release effect of HSAF was maintained for more than 2 weeks. The effective therapeutic concentration of Col‐HSAF against superficial fungal infection was explored, and Col‐HSAF showed good biocompatibility, lower clinical scores, mild histological changes, and antifungal capabilities in animals with Aspergillus fumigatus keratitis and cutaneous candidiasis. In conclusion, Col‐HSAF is an antifungal reagent with significant clinical value in the treatment of superficial fungal infections.
The impact of tumor size on the survival of patients with small renal masses: A population–based study
Authors: Tang Yiming , Liu Fei , Mao Xiaopeng , Li Pengju , Mumin Mukhtar A. , Li Jiaying , Hou Yi , Song Hongde , Lin Haishan , Tan Lei , Gui Chengpeng , Zhang Mingxiao , Fu Liangmin , Chen Wei , Huang Yong , Luo Junhang
Published: March 2022

Background

Active surveillance (AS) with delayed intervention has gained acceptance as a management strategy for small renal masses (SRMs). However, during AS, there is a risk of tumor growth. Thus, we aim to investigate whether tumor growth in patients with SRMs leads to tumor progress.

Methods

In this study, we enrolled 16,070 patients from the Surveillance, Epidemiology, and End Results database with T1a renal cell carcinoma (RCC) between 2004 and 2017. The 16,070 patients were divided into three groups: 10,526 in the partial nephrectomy (PN) group, 2768 in the local ablation (LA) group, and 2776 in the AS group. Associations of tumor size with all‐cause and cancer‐specific mortality were evaluated using Kaplan–Meier analyses and Cox regression models.

Results

Four tumor size categories were delineated (≤1, >1–2, >2–3, and > 3–4 cm in diameter), and 10‐year all‐cause and cancer‐specific mortality both significantly increased with increasing tumor size in the PN, LA, and AS groups (all p < 0.05). Tumors were substaged based on diameter: T1aA (≤2 cm) and T1aB (>2–4 cm). All‐cause and cancer‐specific mortality were significantly higher in T1aB tumors than T1aA tumors in each group (hazard ratio = 1.395 and 1.538, respectively; all p < 0.05).

Conclusions

Tumor growth relates to worse prognosis of T1a RCC, and 2 cm serves as a size threshold that is prognostically relevant for patients with T1a RCC. Because of the lack of accurate predictors of tumor growth rate, AS for patients with SRMs incurs a risk of tumor progression.
Antioxidant, anti‐inflammatory and beneficial metabolic effects of botryosphaeran [(1→3)(1→6)‐β‐d‐glucan] are responsible for its anti‐tumour activity in experimental non‐obese and obese rats bearing Walker‐256 tumours
Authors: da Silva Thais Pereira , Geraldelli Danielli , Martins Kamila Ortega , Braga Ana Júlia Lopes , Rosa Andrielli Pompermayer , Ferneda João Mauricio de Andrades , Bomfim Gisele Facholi , Barbosa‐Dekker Aneli de Melo , Dekker Robert F. H. , Dias Marcos Correa , Paim Neiva Pereira , Sinhorin Valéria Dornelles Gindri , de Queiroz Eveline Aparecida Isquierdo Fonseca
Published: March 2022

Botryosphaeran, a (1→3)(1→6)‐β‐d‐glucan, presents several beneficial activities, such as antiproliferative, hypoglycemic and antitumoural activities. This study evaluated the effects of botryosphaeran on oxidative stress, inflammation and metabolic activities in Walker‐256 tumour‐bearing non‐obese and obese rats. Wistars rats were divided into four groups: control tumour (CT); control tumour + botryosphaeran (CTB); obese tumour (OT), and obese tumour + botryosphaeran (OTB). In ninth week, obese and non‐obese rats were inoculated with 1 × 107 Walker‐256 tumour cells and treated with botryosphaeran (30 mg/kg/d for 15 days). In 11th week, the following parameters were evaluated glycogen, glucose and lactate levels, pro‐oxidant (TBARS) and antioxidant markers (superoxide dismutase [SOD]; catalase [CAT]; glutathione‐S‐transferase [GST]; reduced glutathione [GSH]; vitamin C) and cytokines. Obesity presented oxidative stress and inflammation, as demonstrated by high levels of TBARS, SOD and TNF‐α, and lower levels of CAT, GSH and interleukin‐10 (IL‐10). Botryosphaeran significantly decreased TBARS and TNF‐α and increased GST, GSH, vitamin C and IL‐10 in the liver; increased SOD and vitamin C in tumour tissue; decreased TBARS in adipose tissue, and notably decreased the levels of glycogen and lactate in the tumour of CTB rats. Botryosphaeran promoted significant antioxidant, anti‐inflammatory, and beneficial metabolic effects in Walker‐256 tumour‐bearing non‐obese and obese rats, which contributed to its antitumour activity.
Twisting of the Ranger drug‐coated balloon for treating superficial femoral artery disease
Authors: Kim Su Hong , Choi Jong Hyun , Kim Bo Won , Kim Sang Hee
Published: March 2022

Paclitaxel‐coated balloons have demonstrated improved efficacy compared with uncoated percutaneous transluminal angioplasty for femoropopliteal artery disease. While applying a long balloon, twisting of the balloon can be occurred. We reported two cases with twisting of the Ranger drug‐coated balloon for treating superficial femoral artery.
Rectus sheath hematoma secondary to acute exacerbation of COPD: A case report
Authors: Pant Prashant , Shrestha Oshan , Devkota Nebula , Budhathoki Pawan , Adhikari Sanjit , Shrestha Dhan Bahadur
Published: March 2022

Rectus sheath hematoma, a rare condition, develops due to rupture of epigastric arteries or the rectus abdominis muscle. This case report conveys that such condition can occur due to violent coughing spells, and this should not be missed when a patient with chronic obstructive pulmonary disease presents with abdominal pain.
Chlorodefluorination of Fluoromethanes and Fluoroolefins at a Lewis Acidic Aluminum Fluoride
Authors: Pan Xinzi , Talavera Maria , Scholz Gudrun , Braun Thomas
Published: March 2022

Chlorodefluorination reactions of fluoromethanes and fluoroolefins catalysed by the highly Lewis acidic nanoscopic aluminum chlorofluoride (ACF, AlClxF3−x, x≈0.05–0.3) in the presence of ClSiEt3 were studied. Both fluoromethanes and fluoroolefins convert under mild reaction conditions by fluorine‐chlorine exchange steps into chlorinated fluoro derivatives. MAS NMR studies provided information on the interaction of silanes and hexafluoropropene with the ACF surface.
Modelling textural and mass transfer properties for gamma‐alumina catalysts using randomly generated pore networks
Authors: Ferreira Sónia , Verstraete Jan J. , Jolimaitre Elsa , Leinekugel‐le‐Cocq Damien , Jallut Christian
Published: March 2022

A Monte Carlo approach is used to generate 2D and 3D networks of randomly connected cylindrical pores with a variety of configurations. These networks are created to represent the gamma‐alumina supports of hydrotreating catalysts. Textural properties from generated pore networks are compared with experimental values of porosity, specific surface area, and specific pore volume. The experimental properties were estimated using a helium pycnometer and nitrogen sorption isotherms for five gamma‐alumina samples. Simulated and experimental textural properties concur. Internal diffusion is simulated by 1D Fick diffusion within each pore of the network. A macroscopic diffusion parameter for vacuum distillate type molecules, previously obtained by inverse liquid chromatography and by pulsed‐field gradient nuclear magnetic resonance experiments on alumina samples, is predicted and confronted with experimental values. Diffusional properties are in good agreement when considering two hierarchically organized porous domains.
Clinical advantage and outcomes of computed tomography‐based transvaginal hybrid brachytherapy performed only by sedation without general or saddle block anesthesia
Authors: Okonogi Noriyuki , Murata Kazutoshi , Matsui Toshiaki , Iwai Yuma , Mori Yasumasa , Kaneko Takashi , Wakatsuki Masaru , Tsuji Hiroshi
Published: March 2022

Background

Three‐dimensional image‐guided brachytherapy is the standard of care in cervical cancer radiotherapy. In addition, the usefulness of the so‐called “hybrid brachytherapy (HBT)” has been reported, which involves the addition of needle applicators to conventional intracavitary brachytherapy for interstitial irradiation.

Aim

To evaluate the clinical outcomes of CT‐based HBT consisting of transvaginal insertion of needle applicators (CT‐based transvaginal HBT) and only intravenous sedation without general or saddle block anesthesia.

Methods and results

This is a retrospective chart review of patients who received definitive radiotherapy, including CT‐based transvaginal HBT, between February 2012 and July 2019. The inclusion criteria were as follows: (i) histologically diagnosed disease, (ii) untreated cervical cancer, (iii) International Federation of Gynecology and Obstetrics (FIGO) stage IB1–IVA disease in the 2008 FIGO staging system, and (iv) patients who underwent CT‐based transvaginal HBT at least once in a series of intracavitary brachytherapy. Overall, 54 patients fulfilled the eligibility criteria in the present study. The median follow‐up period was 32 (IQR, 19–44) months. No patient complained of symptoms such as persistent bleeding or abdominal pain after the treatment. The 3‐year local control (LC), disease‐free survival, and overall survival rates for all 54 patients were 86.6%, 60.3%, and 90.7% (95% CI [81.3%–100.0%]), respectively. The 3‐year LC rate was 87.7% in patients with FIGO III–IVA and 90.4% in tumor size >6.0 cm. The incidence rate of late adverse events, grade ≥3, in the rectum and bladder was 0% and 1.8%, respectively. In the dose‐volume histogram analyses, transvaginal HBT increased the dose of HR‐CTVD90 by ~7.5% without significantly increasing the dose of organs at risk.

Conclusion

Considering the favorable clinical outcomes, CT‐based transvaginal HBT may be a good option for treating cervical cancer.
Local Minimizers with Unbounded Vorticity for the 2D Ginzburg‐Landau Functional
Authors: Contreras Andres , Jerrard Robert L.
Published: March 2022

A central focus of Ginzburg‐Landau theory is the understanding and characterization of vortex configurations. On a bounded domain global minimizers, and critical states in general, of the corresponding energy functional have been studied thoroughly in the limit where is the inverse of the Ginzburg‐Landau parameter. A notable open problem is whether there are solutions of the Ginzburg‐Landau equation for any number of vortices below for external fields of up to superheating field strength.

In this paper, we prove that there are constants such that given natural numbers satisfying

local minimizers of the Ginzburg‐Landau functional with this many vortices exist, for fields such that Our strategy consists of combining: the minimization over a subset of configurations for which we can obtain a very precise localization of vortices; expansion of the energy in terms of a modified vortex interaction energy that allows for a reduction to a potential theory problem; and a quantitative vortex separation result for admissible configurations. Our results provide detailed information about the vorticity and refined asymptotics of the local minimizers that we construct. © 2021 Wiley Periodicals LLC.
Interface Shape under the Insulating Baffle in Vertical Bridgman Systems
Authors: Dropka Natasha , Ostrogorsky Aleksandar G.
Published: March 2022

In the vertical Bridgman (VB) configuration, the shape of the solid–liquid (s/l) interface controls the yield and quality of single crystals. The two key effects for growing CdTe in VB configuration with the baffle is are considered: i) the thermal conductivity of the baffle and 2) baffle/crystal rotation. The baffle has a dominating effect on heat transfer to the s/l interface. The low thermal conductivity baffle (λ = 0.3 W m‐K−1) shields the s/l interface from the hot zones of the furnace above the baffle, so that the furnace temperature has to be increased, thus enforcing convex interface. The insulating baffle is expected to be particularly useful for growth of low conductivity crystals such as CdTe or CZT because heat conduction through the crystal is slow.

The flow driven by the rotating crystal (i.e., ampoule) makes the interface less convex. By rotating the crystal relative to the baffle, the undesirable, unsteady natural convection can be made negligible compared to forced convection, thus providing steady laminar flow at the s/l interface.
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

Large 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

Ground 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

Research 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

Background and Aim

The 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.

Method

An 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.

Result

The 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).

Conclusion

Participants 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.
The mitigating effects of enhanced reinforcer magnitude and quality on treatment degradation
Authors: Weinsztok Sarah C. , DeLeon Iser G.
Published: March 2022

Differential reinforcement of alternative behavior is a common intervention for problem behavior in persons with neurodevelopmental disorders, but it is susceptible to integrity errors that can degrade treatment effects. Manipulating reinforcement parameters to favor alternative behavior might make it more persistent in the face of integrity errors. We devised an analog of differential reinforcement of alternative behavior to examine if enhanced reinforcer magnitude or quality for the alternative response could protect against treatment degradation. Across 2 experiments, reinforcer magnitude or quality was manipulated to favor the alternative response in 1 condition but kept constant across both alternative and target responses in a second condition. Comparisons of the 2 conditions indicated that higher‐magnitude or higher‐quality reinforcement for alternative behavior can mitigate against treatment degradation when treatment errors occur and provided support for the utility of considering parameters of reinforcement when developing behavioral interventions for problem behavior.
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

Emerging 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

A 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

A 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

This 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

Mitochondrial 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 message

Axonal 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

The 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

BACKGROUND

Aflatoxin‐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.

RESULTS

P3966W 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.

CONCLUSION

Variety, 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

BACKGROUND

The 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.

RESULTS

Fluorescence 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.

CONCLUSION

During 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

In 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

When 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.