bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preparation of Porous Carbon from Dichloromethane and p‐Phenylenediamine with Short KOH Activation Depth
Authors: Li Anchang , Wang Jingxian , Zhang Kai , Fu Wenwu , Cheng Lin , Zhang Ming , Shen Zhongrong 
Published: April 2022

AbstractKOH chemical activation of pores is a very effective method to prepare carbon materials for supercapacitors. In this work, we have explored a facile route to the preparation of porous precursor materials through a solvothermal reaction between p‐phenylenediamine (PDA) and dichloromethane. Their pores provide diffusion paths and spaces for KOH to penetrate into the precursor, resulting in the direct formation of porous carbon materials during the carbonization and activation. This method can effectively avoid the industrial problems such as the large carbon consumption and the low yield in the process of conventional bulk carbon materials by KOH activation from the outside to inside. The resulted porous carbon material achieves a high yield up to 13.0 % with a specific surface area of 3033.5 m2 g−1. A high specific capacitance of 331.5 F g−1 in 1 M H2SO4, 392.3 F g−1 in 6 M KOH and 246.1 F g−1 in 1 M Li2SO4 can be achieved at a scan rate of 2 mV s−1 for the porous carbon. Meanwhile, symmetric capacitors fabricated using this porous carbon can also provide high specific energy density and excellent cycling stability.
Scalable Composites Benefiting from Transition‐Metal Oxides as Cathode Materials for Efficient Lithium‐Sulfur Batteries
Authors: Marangon Vittorio , Scaduti Eugenio , Vinci Viviana Fatima , Hassoun Jusef 
Published: April 2022

AbstractComposite materials achieved by including transition‐metal oxides with different structures and morphologies in sulfur are suggested as scalable cathodes for high‐energy lithium‐sulfur (Li−S) batteries. The composites contain 80 wt.% sulfur and 20 wt.% of either MnO2 or TiO2, leading to a sulfur content in the electrode of 64 wt.% and revealing a reversible, fast, and lowly polarized conversion process in the cell with limited interphase resistance. The S−TiO2 composite exhibits an excellent rate capability between C/10 and 2C, and a cycle life extended over 400 cycles at 2C, owing to the effects of the nanometric TiO2 additive in boosting the reaction kinetics. Instead, the micrometric sized particles of MnO2 partially limit the electrochemical activity of S−MnO2 to the current rate of 1C. Nevertheless, both S−MnO2 and S−TiO2 withstand a sulfur loading up to values approaching 6 mg cm−2, and deliver an areal capacity ranging from about 4.5 to 5.5 mAh cm−2 at C/5. The excellent performances of the metal oxide‐sulfur electrodes, even at high active material loading, and the possible scalability of the synthetic pathway adopted in the work suggest that the composites are viable cathodes for next‐generation Li−S batteries with high energy density and efficient electrochemical process.
Discovery and Optimization of Piperazine Urea Derivatives as Soluble Epoxide Hydrolase (sEH) Inhibitors
Authors: Çapan İrfan , Jordan Paul M. , Olğaç Abdurrahman , Çalışkan Burcu , Kretzer Christian , Werz Oliver , Banoglu Erden 
Published: April 2022

AbstractSoluble epoxide hydrolase (sEH) is implicated as a potential therapeutic target for inflammation‐related pathologies in the context of cardiovascular, central nervous system and metabolic diseases. In our search for novel sEH inhibitors, we designed and synthesized novel analogs of the piperazine urea derivative4, a previously discovered dual microsomal prostaglandin E2synthase‐1 (mPGES‐1)/soluble epoxide hydrolase (sEH) inhibitor, to evaluate their potential as sEH inhibitors. We identified two 1,3,4‐oxadiazol‐5‐one and ‐thione congeners (compounds19and20), which demonstrated selective sEH inhibition with IC50values in the two‐digit nanomolar range (42 and 56 nM, respectively). These results suggest that the installation of terminal 1,3,4‐oxadiazol‐5‐one/thione functions to the benzyl end can be regarded as a promising secondary pharmacophore in addition to the urea group for sEH inhibition, and compound19can be regarded as novel lead structure for further optimization of improved sEH inhibitors.
VLCC‐Q: Very low computational complexity optical interconnect architecture with queueing for reducing delay and back pressure probability in data center networks
Authors: Fayyaz Mohsin , Shah Yasir Ali , Fayyaz Ahmed , Mujtaba Ghulam 
Published: April 2022

SummaryAn architecture which promised very low computational complexity for optical interconnects in DCN was previously proposed, the very low computational complexity (VLCC) architecture. In this article, we present enhancement over VLCC architecture called very low computational complexity optical interconnect architecture with queueing (VLCC‐Q) architecture which represents M/D/64 output queue. Contention occurs at the destination if the source nodes which access the same destination node exceeds 64. The performance analysis is carried out through mathematical analysis, TCP simulation in NS2 and eye diagram of optical signal. The mathematical analysis gives theoretical bounds of optical switch, whereas TCP analysis gives practical situation results and eye diagram shows that optical signal is practically recoverable after the optical signal passes through various optical components of the optical interconnect. Results clearly show that VLCC‐Q outperforms VLCC architecture in terms of throughput increase, delay reduction and back pressure probability reduction.
Analysis of illicit drugs in purchased and seized electronic cigarette liquids from the United Kingdom 2014–2021
Authors: Frinculescu Anca , Coombes Gemma , Shine Trevor , Ramsey John , Johnston Atholl , Couchman Lewis 
Published: April 2022

AbstractIncreasing popularity and known shortfalls in the regulation of electronic cigarettes (ECs) emphasises the urgent need for closer content monitoring and for comprehensible information on their possible health effects. This study investigated components of EC liquids in samples submitted from 2014 to 2021 and discussed the trends driven by legislation changes. Samples originating from prisoners, teenagers and ‘test purchases’ of commercially available ECs were analysed by gas chromatography‐mass spectrometry (GC‐MS). For those containing delta‐9‐tetrahydrocannabinol (THC) and/or cannabidiol (CBD), the content of these components was quantified by liquid chromatography with quadrupole time‐of‐flight mass spectrometry (LC‐QTOF‐MS) to show variation of these compounds in EC liquids; 112 EC liquids were included in this study. Nicotine was detected in 87 (78%) of the EC liquids analysed. Twenty‐two, including samples from before and after introduction of the UK Psychoactive Substances Act (2016), contained one or more synthetic cannabinoid receptor agonist (SCRA). THC was detected in only 11 samples, whereas a single sample was found to contain CBD only. Six samples contained a mixture of THC and CBD. In all cases where information was available, the THC/CBD content was less than that stated on the product label. The data collected showed great variation in EC liquid content. Therefore, it is important that users are educated regarding risks associated with EC use. Additionally, substances now controlled under both the UK Misuse of Drugs Act and Psychoactive Substances Act were present. These substances each carry a potential risk to health, which is possibly exacerbated if multiple compounds are inhaled concomitantly.
A mechanistic model of functional response provides new insights into indirect interactions among arctic tundra prey
Authors: Beardsell Andréanne , Gravel Dominique , Clermont Jeanne , Berteaux Dominique , Gauthier Gilles , Bêty Joël 
Published: April 2022

AbstractPrey handling processes are considered a dominant mechanism leading to short‐term positive indirect effects between prey that share a predator. However, a growing body of research indicates that predators are not necessarily limited by such processes in the wild. Density‐dependent changes in predator foraging behavior can also generate positive indirect effects but they are rarely included as explicit functions of prey densities in functional response models. With the aim of untangling proximate mechanisms of species interactions in natural communities and improving our ability to quantify interaction strength, we extended the multi‐prey version of the Holling disk equation by including density‐dependent changes in predator foraging behavior. Our model, based on species traits and behavior, was inspired by the vertebrate community of the arctic tundra, where the main predator (the arctic fox) is an active forager feeding primarily on cyclic small rodent (lemming) and eggs of various tundra‐nesting bird species. Short‐term positive indirect effects of lemmings on birds have been documented over the circumpolar Arctic but the underlying mechanisms remain poorly understood. We used a unique data set, containing high‐frequency GPS tracking, accelerometer, behavioral, and experimental data to parameterize the multi‐prey model, and a 15‐year time series of prey densities and bird nesting success to evaluate interaction strength between species. We found that (1) prey handling processes play a minor role in our system and (2) changes in arctic fox daily activity budget and distance traveled can partly explain the predation release on birds observed during lemming peaks. These adjustments in predator foraging behavior with respect to the main prey density thus appear as the dominant mechanism leading to positive indirect effects commonly reported among arctic tundra prey. Density‐dependent changes in functional response components have been little studied in natural vertebrate communities and deserve more attention to improve our ability to quantify the strength of species interactions.
Heterometallic Iridium, Rhodium and Ruthenium Nitrido Complexes Supported by Oxygen and Sulfur Donor Ligands
Authors: Ng Rain , Chong Man‐Chun , Cheung Wai‐Man , Sung Herman H.‐Y. , Williams Ian D. , Leung Wa‐Hung 
Published: April 2022

AbstractHeterometallic μ‐nitrido complexes have been synthesized from organometallic complexes containing O/S‐donor ligands and a ruthenium(VI) nitride. The treatment of [Ir(tpip)(L)2] (tpip−=[N(Ph2PO)2]−; L=cyclooctene (coe) or 2,6‐dimethylphenylisocyanide (xylNC)) and [Ir{N(iPr2PS)2}(coe)] with [Ru(LOEt)(N)Cl2] (LOEt−=[Co(η5‐C5H5){P(O)(OEt)2}3]−) (1) afforded [(L)(tpip)Ir(μ‐N)Ru(LOEt)Cl2] (L=coe (2) or xylNC (3)) and [(coe){N(iPr2PS)2}Ir(μ‐N)Ru(LOEt)Cl2] (4), respectively, in which the Ir−N(nitride) bonds show double bond character. The bonding in 2–4 can be described by two resonance forms: Ir(I)−N≡Ru(VI) and Ir(III)=N=Ru(IV). The treatment of [Ph4P][Ir(CO)2Cl2] with 1 afforded (PPh4)[(CO)Cl2Ir(μ‐N)Ru(LOEt)Cl2] (5) that reacted with [Tl(SR)] to give (PPh4)[(CO)(RS)2Ir(μ‐N)Ru(LOEt)Cl2] (R=xyl (6), C6F4H (7)). The reaction of [M(acac)(CO)2)] or [Ru(acac)2(coe)2] (acac−=acetylacetonate) with 1 gave [(CO)(acac)M(μ‐N)Ru(LOEt)Cl2] [M=Ir (8), Rh (9)] or [(H2O)(acac)2Ru(μ‐N)Ru(LOEt)Cl2] (10), whereas the treatment of [Ru(acac)2(MeCN)2] with 1‐azidoadamantane (AdN3) yielded a Ru(II) tetrazene complex, [Ru(acac)2(N4Ad2)] (11).
Long‐term observational studies with cannabis‐based medicines for chronic non‐cancer pain: A systematic review and meta‐analysis of effectiveness and safety
Authors: Bialas Patric , Fitzcharles Mary‐Ann , Klose Petra , Häuser Winfried 
Published: April 2022

AbstractBackground and ObjectiveThis systematic review evaluated the effectiveness, tolerability and safety of cannabis‐based medicines (CbMs) for chronic non‐cancer pain (CNCP) in long‐term observational studies.Databases and Data TreatmentCENTRAL, EMBASE and MEDLINE were searched until December 2021. We included prospective observational studies with a study duration ≥26 weeks. Pooled estimates of event rates of categorical data and standardized mean differences (SMD) of continuous variables were calculated using a random effects model.ResultsSix studies were included with 2686 participants, with study duration ranging between 26 and 52 weeks. Pain conditions included nociceptive, nociplastic, neuropathic and mixed pain mechanisms. The certainty of evidence for every outcome was very low. The weighted mean difference of mean pain reduction was 1.75 (95% confidence interval [CI] 0.72 to 2.78) on a 0–10 scale. 20.8% (95% CI 10.2% to 34.0%) of patients reported pain relief of 50% or greater. The effect size for sleep problems was moderate and for depression and anxiety was low. Study completions was reported for 53.3% (95% CI 26.8% to 79.9%) of patients, with dropouts of 6.8% (95% CI 4.3% to 9.7%) due to adverse events. Serious adverse events occurred in 3.0% (95 CI 0.02% to 12.8%) and 0.3% (95% CI 0.1% to 0.6%) of patients died.ConclusionsInformation included in observational studies should be regarded with caution. Within the context of observational studies. CbMs had positive effects on multiple symptoms for some CNCP patients and were generally well tolerated and safe.SignificanceThere is very low quality evidence for the long‐term effectiveness (pain, sleep, mood, health‐related quality of life), tolerability and safety of medical cannabis for chronic non‐cancer pain (CNCP) according to reports of prospective observational studies. Predefined criteria of a large magnitude of effect size in these types of studies were not met. Nevertheless, long‐term medical cannabis therapy can be considered in some carefully selected and monitored patients with CNCP.
Influence of diapir structure on formation and distribution of overpressure in the Yinggehai Basin, South China Sea
Authors: Huang Honglin , Li Jun , Yang Hongwei , Zhang Geng , Gao Reyu , An Jintao , Luo Ming , Li Wentuo 
Published: April 2022

AbstractThe Yinggehai Basin (YGH) in the South China Sea is a Cenozoic, high‐temperature, and high‐pressure basin. Exploration and development of natural gas resources in the YGH show that owing to the diapir structures make the formation pressure system is complex, overpressure characteristics are obvious, prediction is difficult, and spatial distribution is irregular, which severely restricts the development of natural gas. To evaluate the influence of diapir structures on the formation and distribution of overpressure, we compared and analyzed the ancient and modern geothermal temperatures, organic matter maturity, clay mineral evolution, burial depth, and pressure coefficient in the diapir and nondiapir zones of the YGH. The results showed that of the diapir structures in the YGH occurred in the following order: Uplift–spiking–piercing–depositing. The Dongfang area is dominated by low‐amplitude turtle‐back diapir structures with weak energy, whereas the Ledong area is dominated by high‐amplitude spiked diapir structures with strong energy, both of which pressurize the upper formation. The Changnan area is dominated by high‐amplitude pierced/depositing diapirs with strong energy, which can relieve pressure. The influence of the diapir and its associated structures on the formation of overpressure can be attributed to the transport of the diapir body and the associated fault‐fracture system and the local thermal effect caused by the upwelling of hot fluids. Under the influence of the diapir structure, the overpressure top surface of the basin was shallower. According to the degree of influence and intensity of the diapir structure, variations in formation pressure coefficient with depth can be divided into four evolution modes: constant pressure, slow pressurization, “Z” pressurization, and “S” pressurization types. This study provides some guidance and references for the identification and accurate prediction of the overpressure formation mechanism in basins containing diapirs, and helps in formulating efficient drilling and production plans.
Pore structure and fractal analysis of coal subjected to multiple treatments based on nuclear magnetic resonance
Authors: Yang Zairong , Zhao Yu , Wang Chaolin , Bi Jing 
Published: April 2022

AbstractMicrowave heating (MW) and freeze fracturing (FF) have been widely used for enhancing the permeability of coal reservoirs. In this paper, the effects of combined MW–FF treatments on coals are experimentally investigated through nuclear magnetic resonance. T2 distributions and fractal dimensions of coals under MW, FF, and the combined MW–FF treatments are compared and analyzed. The results show that the T2 area, porosity, and fractal dimensions of coals increase to varying degrees after MW, FF, and MW–FF treatment. The T2 spectrum peaks increase from 2 to 3 and macrofractures can be observed after the coal was treated with the combined MW–FF treatments. However, these phenomena are not observed under MW or FF treatment. The combined MW–FF treatments can effectively fracture coals with less microwave energy and less liquid nitrogen freezing cycle owing to its intensive thermal shock fracturing. Therefore, the combined MW–FF treatment is favorable for fracturing the coals and hence favorable for the CBM production.
Effectiveness of a third dose of BNT162b2 anti‐SARS‐CoV‐2 mRNA vaccine over a 6‐month follow‐up period in allogenic hematopoietic stem cells recipients
Authors: Chevallier Patrice , Jullien Maxime , Peterlin Pierre , Garnier Alice , Le Bourgeois Amandine , Coste‐Burel Marianne , Béné Marie C. , Guillaume Thierry 
Published: April 2022

AbstractThis study reports the effectiveness of three injections of BNT162b2 anti‐SARS‐CoV‐2 mRNA vaccine in 141 Allo‐HSCT recipients with a median follow‐up of 6 months post‐third shot. We demonstrate a long‐term high protection of Allo‐HSCT recipients since only 2 infections and one death related to COVID‐19 occurred.
Promotive effects of four herbal medicine ARCC on wound healing in mice and human
Authors: Zhong Lingzhi , Shi Cuijuan , Hou Qian , Yang Rungong , Li Meirong , Fu Xiaobing 
Published: April 2022

AbstractBackgroundTraditional Chinese medicine (TCM) had been extensively used in China for wound management and had shown great potential in wound treatment while its mechanism is still needed to be addressed.ObjectiveThe present study sought to investigate the therapuetic effect of the TCM ARCC on acute and chronic wounds.MethodsHere, using the ultra‐low temperature preparation method, the mixed ultramicro powder prepared with Angelica (A), Angelica (R), Calcined Gypsum (C) and Caleramide (C) named as ARCC. The effects of ARCC on wound healing in adult and aged mice were comparatively evaluated through a full‐thickness skin defect model. In addition, we randomly selected 10 patients aged 55 to 70 years from a cohort of 500 patients with diabetic feet to assess their prognosis.ResultsAs the results showed that the healing rate had delayed in aged mice compared to adult mice, while ARCC prominently augmented the healing process in aged mice. Moreover, ARCC treatment wounds in aged mice showed accelerated re‐epithelization, enhanced granulation tissue formation, and increased vascularization, which was similar to that of adult mice. Furthermore, ARCC also achieved therapeutic effects in diabetic foot patients, accelerating wound healing. The results found that foot ulcers improved significantly 7 days after the ARCC administration, and 80% of patients were healed within 1 month.DiscussionIn the present study, ARCC was found to have therapeutic effects on both acute and chronic wounds in animal models. ARCC also demonstrated therapeutic effects in diabetic feet, which promoted wound healing, prevented wound infection, and avoided the risk of further surgery or amputation. All these evidences suggested ARCC was a promising approach for wound treatment.ConclusionsARCC might be recommended as a promising therapeutic medication in diabetic and chronic refractory wounds.
School climate‐related determinants of physical activity among high school girls and boys
Authors: Rajbhandari‐Thapa Janani , Metzger Isha , Ingels Justin , Thapa Kiran , Chiang Kathryn 
Published: April 2022

AbstractIntroductionIn the United States, physical activity (PA) among adolescents is declining; 75% of high school students do not meet daily PA guidelines. Low rates of PA are more prevalent among high school girls. Schools provide an optimal environment to target and promote PA. However, school climate has not yet been studied for its importance in promoting PA among high school students, particularly girls.MethodsA cross‐sectional analysis was conducted using the Georgia Student Health Survey (GSHS) 2.0 data on perceptions of different school climate measures and self‐reported weekly PA levels to study gender differences in the association of PA with school climate.ResultsData from a total of 362,926 students (48% males and 52% females) were analyzed. For both genders, the odds of being physically active increased with a more positive report of supportive school environments, school connectedness, peer social support, school physical environments, cultural acceptance, school safety, and adult social support. Peer victimization was associated with increased odds of PA among females but lower odds for males.ConclusionResults suggest that improving school climate can increase PA among adolescents. As new or existing school‐based interventions and policies are considered by states and local governments, improving the school climate should be part of the overall strategy. Future research is needed on peer victimization among physically active females.Implications and ContributionsThis study evaluated gender differences in the association between measures of school climate and PA among high school students. School climate or policies fostering positive environments including feelings of safety, connectedness, and peer support may increase adolescent PA; addressing peer victimization and fights may reduce gender disparities in PA.
Spirituality and relational health among Black Americans
Authors: Balkin Richard S. , Neal Sheerah A. , Stewart Keon D. , Hendricks Lavelle , Litam Stacey Diane Arañez 
Published: April 2022

AbstractBlack Americans may be less likely to seek conventional mental health services, often preferring to seek assistance within their social support networks, including spiritual and religious communities. Research related to relational health as a marker of spirituality among Black Americans is limited, especially in counseling literature. Relational health and spirituality preserve wellness particularly among Black Americans. Thus, we have illuminated new pathways for exploring Black American well‐being. A multiple regression analysis of 233 adult participants (68 men and 165 women), who identified as Black American or African American (n = 221) or Bi‐/Multi‐racial (n = 12), indicated a significant relationship between spirituality and relational health. The mentor and community subscales on the Relational Health Indices (RHI) made a significant contribution to the model, indicating that quality relationships impact levels of spirituality. Religious affiliation moderated the relationship between relational health domains and spirituality.
Polarization energies in the fragment molecular orbital method
Authors: Fedorov Dmitri G. 
Published: April 2022

AbstractUsing isolated and polarized states of fragments, a method for computing the polarization energies in density functional theory (DFT) and density‐functional tight‐binding (DFTB) is developed in the framework of the fragment molecular orbital method. For DFTB, the method is extended into the use of periodic boundary conditions (PBC), for which a new component, a periodic self‐polarization energy, is derived. The couplings of the polarization to other components in the pair interaction energy analysis (PIEDA) are derived for DFT and DFTB, and compared to Hartree–Fock and second‐order Møller‐Plesset perturbation theory (MP2). The effect of the self‐consistent (DFT) and perturbative (MP2) treatment of the electron correlation on the polarization is discussed. The difference in the polarization in the bulk (PBC) and micro (cluster) solvation is elucidated.