bluuebunny/crossref_metadata_2025_split huggingface dataset:
σ‐Hole intermolecular interactions between carbon oxides and dihalogens: Ab‐initio investigations
Authors: Rahali Emna , Oussama Zouaghi Mohamed , Sanz Javier Fernandez , Raouafi Noureddine , Arfaoui Youssef 
Published: March 2023

AbstractRecently, halogen bonding (XB) has received increased attention as a new type of non‐covalent interaction widely present in nature. In this work, quantum chemical calculations at DFT level have been carried out to investigate halogen bonding interactions between COn(n = 1 or 2) and dihalogen molecules XY (X = F, Cl, Br, I and Y = Cl, Br, I). Highly accurate all‐electron data, estimated by CCSD(T) calculations, were used to benchmark the different levels of computational methods with the objective of finding the best accuracy/computational cost. Molecular electrostatic potential, interaction energy values, charge transfer, UV spectra, and natural bond orbital (NBO) analysis were determined to better understand the nature of the XB interaction. Density of states (DOS) and projected DOS were also computed. Hence, according to these results, the magnitude of the halogen bonding is affected by the halogen polarizability and electronegativity, where for the more polarizable and less electronegative halogen atoms, the σ‐hole is bigger. Furthermore, for the halogen‐bonded complexes involving CO and XY, the OC∙∙∙XY interaction is stronger than the CO∙∙∙XY interaction. Thus, the results presented here can establish fundamental characteristics of halogen bonding in media, which would be very helpful for applying this noncovalent interaction for the sustainable capture of carbon oxides.
Adsorption of Cu(II) in aqueous solution by sodium dodecyl benzene sulfonate‐modified montmorillonite
Authors: Wang Danqi , Wang Ruicong , Peng Wencai , Wang Yi , Zhang Na , Duan Yanan , Wang Shiqin , Liu Linye 
Published: March 2023

AbstractThe pristine montmorillonite (P‐Mt) was modified with sodium dodecyl benzene sulfonate (SDBS) to form SDBS montmorillonite (SDBS‐Mt) for the purpose of enhancing the removal performance of Cu(II) from aqueous solution. The materials were characterized by means of XRD, SEM‐EDS, BET, and FTIR to analyze the surface morphology and structure. SDBS‐Mt displayed a higher adsorption capacity than P‐Mt. The adsorption kinetic model and the adsorption isotherm model are depicted by the pseudo‐second‐order kinetic equation and the Langmuir equation, respectively. The adsorption of Cu(II) on SDBS‐Mt is a spontaneous and endothermic process. The order of influence of coexisting cations on the adsorption of Cu(II) is Ni(II) > Co(II) > Zn(II). In addition, the adsorbent has great regeneration performance after five cycles of regeneration. The main mechanisms of Cu(II) adsorption by SDBS‐Mt may include electrostatic attraction, ion exchange, and complexation of sulfonate groups. In brief, SDBS‐Mt may be a promising, simple, and low‐cost adsorbent for the treatment of Cu(II) in aqueoussolutions.
Competing aspects of the rural Arab mothers' bereavement experience
Authors: Ismail Akhlas , Dekel Rachel 
Published: March 2023

AbstractThe study applied relational dialectics theory to explore competing discourses in bereaved Arab mothers' talk about their bereavement experience in a collective space in rural areas of Israel, and to understand how the interaction between these discourses gives meaning to their experience. Fifteen bereaved mothers were interviewed. The mothers, aged 28–46 years, had children (aged 1–6 years) who died between 2 and 7 years previously. Analysis of the interviews revealed three main discursive struggles that characterize mothers' bereavement experience: (a) moving closer versus keeping one's distance; (b) social harmony versus personal needs; and (c) criticism of ongoing grief versus criticism of returning to routine functioning. The advantage of being part of a close‐knit social network is that it provides emotional cushioning to the bereaved. This cushioning, however, does not preclude the struggle to attain normalcy after the tragedy within the parameters of the contradictory societal expectations and needs of the mourner.
Biocathode electrochemical activity and reduction characteristics of Cr(VI) system in microbial fuel cells
Authors: Zhang Wusheng , Zhao Yu , Wang Xiaxia , Ma Xuli , Jin Lie , Wang Haicheng , Li Hui , Yan Jinbin , Pan Weibin , Chen Shuwei 
Published: March 2023

AbstractBACKGROUNDThe biocathode of microbial fuel cells (MFCs) offers a simple method for the reductive treatment of Cr(VI), and Cr(VI) is an electron acceptor in cathodes in MFCs. In this study, MFCs with different Cr(VI) contents (7.07–35.35 mg L−1) were considered to evaluate the overall performance of MFCs.RESULTSThe results of electrochemical analysis confirmed that the MFC‐2 biocathode exhibited a higher effective reaction surface, stronger conductivity, and smaller charge transfer resistance (53.63 Ω) than the others. In addition, Cr(VI) had a power output of 75.6 mW m−2 in MFC‐2 and a Cr(VI) cathodic coulombic efficiency of 103.8%. With 14.14 mg L−1 Cr(VI) content, the cathode microbe had the best activity. Cr(VI) reduction followed a pseudo‐first‐order kinetic model, with the rate constant being 0.0139 h−1. Meanwhile, this study analyzed the Cr(VI) reduction in MFCs and the release and acceptance of electrons and protons. Electrically active bacteria such as Proteobacteria were highly enriched on the anode and cathode biofilm, while the Cr(VI)‐reducing bacteria Gammaproteobacteria increased in the biofilm of the cathode.CONCLUSIONThis study helps in the selection of Cr(VI) concentration for the cathode, guaranteeing microbial activity and power generation performance. Microbes have the best electrochemical activity in MFC‐2 (14.14 mg L−1). Meanwhile, the change in anode microbial activity was affected by cathode performance. The microbial community was significantly influenced by Cr(VI). © 2023 Society of Chemical Industry (SCI).
Sleep parameters and problems in adolescents with and without ADHD: A systematic review and meta‐analysis
Authors: Marten Finja , Keuppens Lena , Baeyens Dieter , Boyer Bianca E. , Danckaerts Marina , Cortese Samuele , Van der Oord Saskia 
Published: March 2023

AbstractBackgroundAdolescence is characterized by an increase in the rate of sleep problems, which might be even more pronounced in adolescents with ADHD. This systematic review with meta‐analysis aimed to compare sleep in adolescents with and without ADHD, including sleep parameters, both subjectively and objectively measured, sleep problems and sleep hygiene.MethodsMedline, CINAHL, PsycINFO, EMBASE, ERIC, Web of Science, and PubMed databases were searched for studies with case‐control designs (published between 1980 and 2022) directly comparing sleep in adolescents (12–25 years) with ADHD to typically developing controls. Standardized mean differences were calculated and a random‐effects model was implemented using RevMan.ResultsOverall, 6974 titles/abstracts and 205 full texts were screened, resulting in 13 eligible studies. The sample sizes range from 35 to 9846 with in total 2465 adolescents with ADHD and 18,417 controls. The data suggests that adolescents with ADHD report significantly more disturbed subjective sleep parameters (e.g., total sleep time; n = 7, SMD = 0.47, p < .001) and experience more sleep problems compared to typically developing peers (e.g., daytime sleepiness; n = 5, SMD = 0.54, p = .01). Only few studies objectively measured sleep and no significant differences were found between both groups (n = 3) in any parameter. Differences in sleep hygiene could not be examined due to a limited number of studies.ConclusionsAdolescents with ADHD report significantly worsened subjectively sleep parameters and more sleep problems compared to controls. These findings are still preliminary as a limited number of studies was identified. Nevertheless, it is advised to routinely include sleep assessment in the ADHD diagnostic process. More research is needed with a focus on objective measurement and sleep hygiene in ADHD.
Perceived social support: A study of genetic counseling graduate students in the United States (US) and Canada
Authors: Clark Sierra , Kennel Victoria , McBrien Sarah , Samson Kaeli , Zimmerman Holly 
Published: March 2023

AbstractSocial support is described as having positive psychological and physical outcomes and offers some protective benefits against mental illness. However, research has not addressed social support for genetic counseling graduate students, although this population is prone to elevated levels of stress in addition to field‐specific phenomena like compassion fatigue and burnout. Therefore, an online survey was distributed to genetic counseling students in accredited programs in the United States and Canada to synthesize information about (1) demographic information, (2) self‐identified sources of support, and (3) the availability of a strong support network. In total, 238 responses were included in the analysis, yielding a mean social support score of 3.84 on a 5‐point scale, where higher scores indicate increased social support. The identification of friends or classmates as forms of social support significantly increased social support scores (p < 0.001; p = 0.006, respectively). There was also a positive correlation between increased social support scores and the number of social support outlets (p = 0.01). Subgroup analysis focused on potential differences in social support for racially/ethnically underrepresented participants (comprising less than 22% of respondents), revealing that this population identified friends as a form of social support significantly less often than their White counterparts; and mean social support scores were also significantly lower. Our study underscores the importance of classmates as a source of social support for genetic counseling graduate students while uncovering discrepancies that exist in social support sources between White and underrepresented students. Ultimately, stakeholders in genetic counseling student success should foster a community and culture of support within a training program (whether traditionally in‐person or online) to encourage success among all students.
Home enteral nutrition: A descriptive study
Authors: Mundi Manpreet S. , Mohamed Elfadil Osman , Olson Danelle A. , Pattinson Adele K. , Epp Lisa M. , Miller Lisa D. , Seegmiller Sara L. , Schneckloth Jill M. , Baker Margaret R. , Abdelmagid Marwa G. , Patel Ankitaben , Wescott Bethaney A. , Elder Lindsey S. , Hagenbrock Martha C. , Sefried Lindsey E. , Hurt Ryan T. 
Published: March 2023

AbstractBackgroundWith data demonstrating benefit, the prevalence of home enteral nutrition (HEN) has increased significantly over the last few decades. Despite this increase, there remains a paucity of data regarding real‐world use of HEN including clinical outcomes and complications.MethodsDescriptive analysis of prospectively maintained database of our specialized HEN program was undertaken. Patients who received care in our program with HEN initiation date between January 1, 2018, and December 31, 2020, were included in the analysis. Data regarding demographic information, anthropometrics, enteral nutrition (EN) regimen, electrolytes, and nutrition therapy history were included and tracked until July 31, 2021.ResultsDuring the study period, 1600 patients initiated HEN treatment under our care. Majority of the study population needed EN therapy due to malignancy and its complications, including malignant dysphagia or mechanical obstruction (60.6%) followed by neurodegenerative diseases (7.5%). By the end of the study period, a majority of the patients (82%) stopped HEN treatment. Of these, 44.2% achieved EN goals and/or oral autonomy. Patients continued HEN treatment for a median of 100 (interquartile range, 32–301) days. Overall, 53.2% of patients experienced/reported at least one HEN‐related complication that was clinically managed by the HEN team. Complications included tube‐related, enteral feeding intolerance (EFI), and electrolyte shifts.ConclusionIn our study population, HEN was most utilized to manage malignancy‐related complications, including dysphagia. Unfortunately, complications, including EFI and tube‐related complications, remained quite prevalent. Further evaluation regarding risk factors for complications and preventive mechanisms, such as increased education, is indicated.
Genetic‐environment interactions and climatic variables effect on bean physical characteristics and chemical composition of Coffea arabica
Authors: Sarzynski Thuan , Bertrand Benoît , Rigal Clément , Marraccini Pierre , Vaast Philippe , Georget Frédéric , Campa Claudine , Abdallah Cécile , Nguyen Chang Thi Quynh , Nguyen Hung Phi , Nguyen Hai Thi Thanh , Ngoc Quyen Luu , Ngan Giang Khong , Viet Thang Vu , Navarini Luciano , Lonzarich Valentina , Bossolasco Laurent , Etienne Hervé 
Published: March 2023

AbstractBACKGROUNDThe effects of the environment and genotype in the coffee bean chemical composition were studied using nine trials covering an altitudinal gradient [600–1100 m above sea level (a.s.l.)] with three genotypes of Coffea arabica in the northwest mountainous region of Vietnam. The impacts of the climatic conditions on bean physical characteristics and chemical composition were assessed.RESULTSWe showed that the environment had a significant effect on the bean density and on all bean chemical compounds. The environment effect was stronger than the genotype and genotype‐environment interaction effects for cafestol, kahweol, arachidic (C20:0), behenic acid (C22:0), 2,3‐butanediol, 2‐methyl‐2‐buten‐1‐ol, benzaldehyde, benzene ethanol, butyrolactone, decane, dodecane, ethanol, pentanoic acid, and phenylacetaldehyde bean content. A 2 °C increase in temperature had more influence on bean chemical compounds than a 100 mm increase in soil water content. Temperature was positively correlated with lipids and volatile compounds. With an innovative method using iterative moving averages, we showed that correlation of temperature, vapour pressure deficit (VPD) and rainfall with lipids and volatiles was higher between the 10th and 20th weeks after flowering highlighting this period as crucial for the synthesis of these chemicals. Genotype specific responses were evidenced and could be considered in future breeding programmes to maintain coffee beverage quality in the midst of climate change.CONCLUSIONThis first study of the effect of the genotype–environment interactions on chemical compounds enhances our understanding of the sensitivity of coffee quality to genotype environment interactions during bean development. This work addresses the growing concern of the effect of climate change on speciality crops and more specifically coffee. © 2023 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Synthesis of hydrophilic glyceryl monocaffeate with economical catalyst cation‐exchange resin Amberlyst‐35
Authors: Li Dami , Wang Xinying , Hou Xuebei , Sun Shangde , Chen Xiaowei , Zhang Hao 
Published: March 2023

AbstractBACKGROUNDCaffeic acid (CA) has anti‐oxidation and anti‐inflammatory. However, the poor hydrophilicity of CA limits its biological activities. In this work, hydrophilic glyceryl monocaffeate (GMC) was synthesized by esterification using different caffeoyl donors (deep eutectic solvent and solid CA). Cation‐exchange resins were used as the catalysts. The effects of reaction conditions were also investigated.RESULTSThe mass transfer limitation of esterification was eliminated using deep eutectic solvent. Compared with the previous catalysts (immobilized lipase Novozym 435), an economic cation‐exchange resin, Amberlyst‐35 (A‐35), showed good catalytic performance for GMC preparation. The activation energies of GMC synthesis and CA conversion were 43.71 kJ mol−1 and 43.07 kJ mol−1, respectively. The optimal reaction conditions were a temperature reaction of 90 °C, catalyst load of 7%, glycerol/CA molar ratio of 5:1 (mol mol−1), and reaction time of 24 h, which resulted in a maximum GMC yield and CA conversion of 69.75 ± 1.03% and 82.23 ± 2.02%, respectively.CONCLUSIONThe results of the work showed a promising alternative for the synthesis of GMC. © 2023 Society of Chemical Industry.
Ultrasound‐assisted ascorbic acid solution pretreated hot‐air drying improves drying characteristics and quality of jujube slices
Authors: Bao Tao , Karim Naymul , Mo Jianling , Chen Wei 
Published: March 2023

AbstractBACKGROUNDThe effective hot‐air drying of foods such as jujube requires an effective green pretreatment alternative to chemical pretreatments. Jujube slices were pretreated using 5 and 10 mg mL−1 ultrasound‐assisted vitamin C (UVC) for 10, 20, and 30 min, followed by hot‐air drying.RESULTSUltrasound‐assisted vitamin C pretreatment for 10, 20, and 30 min modulated the characteristics of fresh jujube slices such as water loss (from −28.25% to −25.52% after 30 min of UVC pretreatment), solid gain (from −31.68% to −26.82% after 30 min of UVC pretreatment), loss of total and reducing sugars (from 200.25 mg and 34.88 mg to 287.14 mg and 4.71 mg, respectively, after 30 min of UVC pretreatment), total soluble solids (from 76.32 oBrix to 82.08 oBrix), and water diffusivity (from 9.01 × 10−10 m2 s−1 to 6.71 × 10−10 m2 s−1). These characteristics were associated with altered surface morphology and improved drying characteristics. The UVC pretreatment preserved an acceptable reddish‐yellow or orange‐like color during hot‐air drying and reduced the browning index from 26.3 optical density (OD)/g DM to 23.25 OD/g dry mass basis (DM), which was connected with reduced 5‐hydroxymethylfurfural (HMF) content. On the other hand, the proportions of bioactive components such as vitamin C increased from 1.05 mg g−1 DM to 9.02 mg g−1 DM, phenolics increased from 12.8 mg gallic acid equivalent (GAE)/g DM to 17.5 mg GAE/g DM, flavonoids increased from 4.0 mg rutin equivalent (RE)/g DM to 4.4 mg RE/g DM, and procyanidin content increased from 2.0 mg catechin equivalents (CE)/g DM to 2.9 mg CE/g DM in UVC pretreated jujube slices, which had a positive association with increased antioxidant activity – for example, 2,2'‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid (ABTS) increased from IC50 22.5 mg DM/mL to 8.0 mg DM/mL, 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) changed from IC50 36.5 mg DM/mL to 9.5 mg DM/mL, and ferric reducing antioxidant power (FRAP) increased from 2.0 mg vitamin C equivalent (VCE)/g DM to 11.9 mg VCE/g DM).CONCLUSIONThe data indicated that UVC can be used as a promising pretreatment method for improving the hot‐air drying characteristics and the quality of jujube slices. © 2023 Society of Chemical Industry.
Preoperative acute pancreatitis and hyperenzymemia are associated with poor prognosis in patients with nonfunctional pancreatic neuroendocrine tumors
Authors: Song Haiyu , Tan Qingquan , Yuan Yuan , Liu Xubao , Chen Yonghua , Wang Xing 
Published: March 2023

AbstractBackgroundWe aimed to investigate the prevalence of acute pancreatitis (AP) and hyperenzymemia as well as their clinical impact on postoperative survival outcomes in patients with pancreatic neuroendocrine tumors (PNETs).MethodsA retrospective cohort study of 218 patients who underwent radical surgical resection for nonfunctional PNETs (NF‐PNETs) was conducted. Multivariate survival analysis was performed by the Cox proportional hazard model, with results expressed as hazard ratio (HR) and 95% confidence interval (CI).ResultsOf the 151 patients who met the inclusion criteria, the incidences of preoperative AP and hyperenzymemia were 7.9% (12/152) and 23.2% (35/151), respectively. The mean recurrence‐free survival (RFS, 95% CI) for patients in control, AP, and hyperenzymemia groups was 136 (127–144), 88 (74–103), and 90 (61–122) months, with a 5‐year RFS rate of 86.5%, 58.3%, and 68.9%, respectively. In the multivariable‐adjusted Cox hazard model that included tumor grade and lymph node status, the adjusted HR of AP and hyperenzymemia for recurrence was 2.58 (95% CI: 1.47–7.86, p = 0.008) and 2.43 (95% CI: 1.08–7.06, p = 0.040).ConclusionPreoperative AP and hyperenzymemia are associated with poor RFS following radical surgical resection in NF‐PNETs patients.
A comparison of the efficacy and safety of natural orifice specimen extraction and conventional laparoscopic surgery in patients with sigmoid colon/high rectal cancer
Authors: He Qiang , Huang Jing , Niu Liyun , Zhai Chunbao 
Published: March 2023

AbstractObjectiveThis study aimed to investigate the efficacy and safety of natural orifice specimen extraction surgery (NOSES) compared to conventional laparoscopic radical resection in the treatment of patients with sigmoid colon/high rectal cancer.MethodsThe control group (n = 62) underwent traditional laparoscopic radical resection, and the observation group (n = 62) underwent transanal NOSES laparoscopic radical resection. The operation length; amount of bleeding; number of lymph node dissections and days of hospitalization after surgery; visual pain scores on the first and third days after surgery; first leaving bed, anal exhaust, eating a liquid diet, and effective sleep times; and the postoperative complications (abdominal or incision infection or anastomotic fistula) of the two groups of patients were compared and analyzed.ResultsThe effective sleep time of the observation group on the first day after the operation was 12.3 ± 2.9 h, which was longer than that of the control group (10.6 ± 3.2 h), and the difference was statistically significant (p < 0.001). The pain degree of the two groups on the third day after the operation was lower than that on the first day, and the pain score of the observation group was lower than that of the control group (2.0 ± 1.0 vs. 3.2 ± 1.2, p < 0.001). The postoperative hospital stay in the observation group was significantly shorter than that in the control group (9.7 ± 2.3 vs. 11.2 ± 2.6, p < 0.001). The incidence of postoperative complications in the observation group was significantly lower than that in the control group (3.2% vs. 12.9%, p = 0.048). In addition, it was found that the first leaving bed, anal exhaust and liquid diet times in the observation group were significantly shorter than those in the control group (p < 0.001).ConclusionLaparoscopic radical resection NOSES in patients with sigmoid colon cancer or high rectal cancer leads to lower postoperative pain and longer sleep time than in patients who undergo traditional laparoscopic radical surgery. The complication rate of this procedure is low, and the curative effect is safe and positive.
Generalized purpuric lichen nitidus treated successfully with narrowband UVB therapy
Authors: Turjanmaa Elli , Huotari‐Orava Riitta , Korhonen Niina 
Published: March 2023

AbstractA 66‐year‐old Finnish man suffered from asymptomatic, purpuric skin lesions extending from his ankles and dorsal feet to the trunk and forearms. Based on a skin punch biopsy and the clinical picture, the diagnosis of generalized purpuric lichen nitidus, which is an exceedingly rare form of lichen nitidus, was made. The condition responded well to narrowband UVB phototherapy.
‘Cracks’ in the scholarly communications system: Insights from a longitudinal international study of early career researchers
Authors: Nicholas David , Boukacem‐Zeghmouri Cherifa , Rodríguez‐Bravo Blanca , Herman Eti , Abrizah Abdullah , Clark David , Serbina Galina , Sims David , Świgoń Marzena , Xu Jie , Watkinson Anthony , Jamali Hamid R. , Tenopir Carol , Allard Suzie 
Published: March 2023

Key points
170 early career researchers interviewed three times over 2 years, have uniquely contributed towards a stress test of scholarly communications and cracks have been identified.
The perfect storm created by the convergence of millennial values and the pandemic appears to have fast‐forwarded the cracking process, perhaps, for the good.
The cracks in question are: (1) peer review; (2) reputational assessment; (3) unethical/questionable practices; (4) collaboration; (5) networking.