bluuebunny/crossref_metadata_2025_split huggingface dataset:
In silico studies on recreational drugs: 3D quantitative structure activity relationship prediction of classified and de novo designer benzodiazepines
Authors: Catalani Valeria , Floresta Giuseppe , Botha Michelle , Corkery John Martin , Guirguis Amira , Vento Alessandro , Abbate Vincenzo , Schifano Fabrizio 
Published: July 2022

AbstractCurrently, increasing availability and popularity of designer benzodiazepines (DBZDs) constitutes a primary threat to public health. To assess this threat, the biological activity/potency of DBZDs was investigated using in silico studies. Specific Quantitative Structure Activity Relationship (QSAR) models were developed in Forge™ for the prediction of biological activity (IC50) on the γ‐aminobutyric acid A receptor (GABA‐AR) of previously identified classified and unclassified DBDZs. A set of new potential ligands resulting from scaffold hopping studies conducted with MOE® was also evaluated. Two generated QSAR models (i.e. 3D‐field QSAR and RVM) returned very good performance statistics (r2 = 0.98 [both] and q2 = 0.75 and 0.72, respectively). The DBZDs predicted to be the most active were flubrotizolam, clonazolam, pynazolam and flucotizolam, consistently with what reported in literature and/or drug discussion fora. The scaffold hopping studies strongly suggest that replacement of the pendant phenyl moiety with a five‐membered ring could increase biological activity and highlight the existence of a still unexplored chemical space for DBZDs. QSAR could be of use as a preliminary risk assessment model for (newly) identified DBZDs, as well as scaffold hopping for the creation of computational libraries that could be used by regulatory bodies as support tools for scheduling procedures.
Scientific contributions of citizen science applied to rare or threatened animals
Authors: Fontaine Amélie , Simard Anouk , Brunet Nicolas , Elliott Kyle H. 
Published: July 2022

AbstractCitizen science is filling important monitoring gaps and thus contributing to the conservation of rare or threatened animals. However, most researchers have used peer‐reviewed publications to evaluate citizen science contributions. We quantified a larger spectrum of citizen science's contributions to the monitoring of rare or threatened animals, including contributions to the peer‐reviewed publications, gray literature and to conservation measures (i.e., actions taken as a direct result of citizen science monitoring). We sought to provide broad information on how results of studies of citizen science monitoring is used. We also evaluated factors associated with success of citizen science projects. We conducted a web search to find citizen science projects focusing on rare and threatened species and surveyed citizen science project managers about their contributions and factors influencing their success. The number of projects increased rapidly after 2010. Almost one‐half of the citizen science projects produced at least 1 peer‐reviewed publication, 64% produced at least 1 gray literature publication, and 64% resulted in at least 1 conservation measure. Conservation measures covered a wide range of actions, including management and mitigation plans, modification of threat status, identification and establishment of protected areas, habitat restoration, control of invasive species, captive breeding programs, and awareness campaigns. Longevity, data quality, and collaboration type best explained quantities of all types of scientific contributions of citizen science. We found that citizen science contributed substantially to knowledge advancement and conservation, especially when programs were long term and had rigorous data collection and management standards, and multidisciplinary or transdisciplinary collaborations.
The extent of crop damage by elephants: Does the distance from the protected area matter?
Authors: Eustace Abraham , Chambi Diana , Emmanuel Gideon , Saigilu Meshack 
Published: July 2022

AbstractStudies on human–elephant conflicts have been conducted extensively in Africa and Asia. However, few of them have attempted to assess the variation in the area destroyed by elephants (Loxodonta africana) per farm with respect to their distance from protected area and the crops being grown. Thus, we assessed the area destroyed by elephants per farm and how that area varies according to both distance from protected area and crop type in four villages adjacent to the Kijereshi Game Reserve in the Busega district, Tanzania. We obtained data on crop damage caused by elephants from the Busega District Council and used a generalized linear model with inverse gamma distribution for analysis. For three villages, the crop area damaged by elephants decreased with increase in distance from protected area boundary while for one village where beehive fencing has been installed it was the opposite. Furthermore, we found that the area destroyed by elephants per farm varies per crops grown, with farms growing green gram and cotton being destroyed to a greater extent than farms growing other crops. Our findings suggest that apart from applying human–elephant conflict mitigations, local inhabitants should avoid cultivating crops in locations close to protected areas.
Measurement of the anchoring force of covered self‐expandable and lumen‐apposing metal stents for interventional endoscopic ultrasonography
Authors: Takasaki Yusuke , Isayama Hiroyuki , Shin Kyoung Sub , Ishii Shigeto , Fujisawa Toshio , Moon Jong Pil , Fukuma Taito , Ushio Mako , Takahashi Sho , Suzuki Akinori , Ito Koichi , Tomishima Ko 
Published: July 2022

ObjectivesInterventional endoscopic ultrasonography is performed for various situations that require drainage, after which stent migration is the most severe adverse event. Several lumen‐apposing metal stents (LAMS) and covered self‐expandable metal stents (CSEMS) provide antimigration systems; however, their anchoring ability has not been studied well. Therefore, we measured and compared the anchoring force (ACF) of commercially available LAMS and CSEMS.MethodsAnchoring force was measured for five types of LAMS (NAGI, SPAXUS, Plumber, and AXIOS 8 and 10 mm) and seven types of CSEMS (BCL, SHCL, BCG, BPD [four types of HANAROSTENT], HILZO, Niti‐S [Spring Stopper], and Wallflex). We created a phantom model for inducing stent migration. It has a rotatable part as a curved fixture, and we measured ACF at angles between 0° and 40°.ResultsThe mean ACF at 0° and 20° were NAGI 1.50, 1.84 N, SPAXUS 1.73, 1.72 N, Plumber 2.64, 2.03 N, and AXIOS 3.96, 3.61 N, respectively; and BCL 0.48, 0.53 N, Wallflex 0.53, 0.48 N, SHCL 0.64, 0.73 N, HILZO 1.09, 1.09 N, BCG 1.22, 1.20 N, BPD 1.78, 1.67 N, and Spring Stopper 2.29, 2.51 N.ConclusionWe measured ACF in LAMS and CSEMS with a new phantom model. The highest value among the LAMS was for the AXIOS and among the CSEMS was for the Spring Stopper. Some of the ACF values varied with the direction of pull. These findings may have a significant impact on stent selection for interventional endoscopic ultrasonography, and this model can be used to evaluate newly developed stents.
Outcome of Guillain–Barré syndrome following intravenous immunoglobulin compared to natural course
Authors: Kalita Jayantee , Misra Usha K. , Chaudhary Sarvesh K. , Das Moromi , Mishra Anadi , Ranjan Abhay , Kumar Mritunjai 
Published: July 2022

AbstractBackground and purposeIntravenous immunoglobulin (IVIg) is recommended in Guillain–Barré syndrome (GBS), but its efficacy may vary in different subtypes. We report the outcomes of patients with GBS following IVIg treatment compared to the natural course (NC). We also compare the effect of IVIg treatment in different subtypes of GBS.MethodsFrom a cohort of 528 GBS subjects, we have extracted 189 patients who received IVIg and compared their outcomes with 199 age‐ and peak disability‐matched patients who did not receive IVIg, plasmapheresis, or corticosteroid. Disability was assessed using the 0–6 Guillain–Barré Syndrome Disability Scale (GBSDS). Clinical and neurophysiological subtypes were recorded. The primary outcome was functional disability at 6 months, which was categorized as complete (GBSDS ≤ 1), partial (GBSDS 2–3), or poor (GBSDS > 3). The secondary outcomes were in‐hospital death, duration of hospitalization, and mechanical ventilation.ResultsIn‐hospital death (2.6% vs. 2%, p = 0.74) and 3‐month poor recovery (20.7% vs. 18%) were similar in the IVIg and NC groups. At 6 months, however, a lesser proportion of patients in the IVIg group had poor recovery (2.2% vs. 8.3%, p = 0.026). The outcomes of IVIg and NC were compared in 72 acute motor axonal neuropathy (AMAN) and 256 acute inflammatory demyelinating polyradiculoneuropathy (AIDP) patients. IVIg therapy did not alter the outcome in AMAN but resulted in a lesser proportion of poor recovery at 6 months in AIDP (0.8% vs. 6.6%, p = 0.03).ConclusionsIVIg is beneficial in AIDP variants of GBS but not in the AMAN subtype. A customized treatment may be cost‐effective until a randomized controlled trial is conducted in AMAN.
Pellicle modification with natural bioproducts: Influence on tooth color under erosive conditions
Authors: Mailart Mariane Cintra , Berli Pavel Claudio , Borges Alessandra Bühler , Yilmaz Burak , Baumann Tommy , Carvalho Thiago Saads 
Published: July 2022

AbstractSalivary pellicle was modified with bioproducts and we assessed the change in tooth color and the protection of enamel to erosion. Human enamel specimens were assigned to one of three solutions: grape seed extract or black tea (bioproducts), or deionized water (negative control); after which one half the specimens underwent erosive challenges. The specimens underwent 15 cycles involving salivary pellicle formation (10 min, 37°C), incubation in solution (2 min, 25°C), subsequent pellicle formation (90 min, 37°C). Half of the specimens was kept in a humid chamber and the other half was submitted to erosion (2 min, 1% citric acid). After 15 such cycles, the pellicle was removed. Tooth color and the surface reflection intensity were assessed after every five cycles and after pellicle removal. For non‐eroded specimens, the exposure to bioproducts promoted significantly greater color change than the deionized water, with increases in yellow appearance. After pellicle removal, the color was similar in all non‐eroded specimens. The bioproducts increased the surface reflection intensity over cycles. For the erosion‐exposed specimens, erosion itself resulted in color change. Black tea and deionized water resulted in increased yellow appearance. Exposure to the bioproducts resulted in higher relative surface reflection intensity values over time, but only grape seed extract resulted in higher relative surface reflection intensity value at the time of pellicle removal. The bioproducts caused transient staining effect, which was reduced after pellicle removal. For enamel submitted to erosion, grape seed extract resulted in less color change and better protection of enamel against erosion than black tea or water.
Considerations for determining the efficacy of new antiseizure medications in children age 1 month to younger than 2 years
Authors: French Jacqueline A. , Cleary Elena , Dlugos Dennis , Farfel Gail , Farrell Kathleen , Gidal Barry , Grzeskowiak Caitlin L. , Gurrell Rachel , Harden Cynthia , Stalvey Tracy J. , Tsai Julia , Wirrell Elaine C. , Blum David , Fountain Nathan 
Published: July 2022

AbstractObjectivesDrug treatment for children with epilepsy should, ideally, be governed by evidence from adequate and well‐controlled clinical studies. However, these studies are difficult to conduct, and so direct evidence supporting the informed use of specific drugs is often lacking. The Research Roundtable for Epilepsy (RRE) met in 2020 to align on an approach to therapy development for focal seizures in children age 1 month <2 years of age.MethodsThe RRE reviewed the regulatory landscape, epidemiology, seizure semiology, antiseizure medicine pharmacology, and safety issues applicable to this population.ResultsAfter reviewing evidence, the conclusion was that pediatric efficacy trials would be impracticable to conduct but a waiver of the regulatory requirement to conduct any study would lead to an absence of information to guide dosing in a critical population. Review of available data and discussion of RRE attendees led to the conclusion that the requirements for extrapolation of efficacy from older children down to infants from age 1 month to <2 years old appeared to be met. After the RRE, the US Food and Drug Administration (FDA) approved brivaracetam for use in children with focal epilepsy above the age of 1 month in August 2021 and lacosamide in October 2021, both based on the principle of extrapolation from data in older children.SignificanceThese recommendations should result in more rapid accessibility of antiseizure medications for infants.
Transient creep‐fatigue crack growth in creep‐brittle materials: Application to Alloy 718
Authors: Pribe Joshua D. , Ostergaard Halsey E. , Siegmund Thomas , Kruzic Jamie J. 
Published: July 2022

AbstractThis study presents incremental finite element computations of creep‐fatigue crack growth in Alloy 718 at
in air. Alloy 718 is representative of creep‐brittle materials, in which viscoplastic deformation is restricted near the tip of a growing crack. The computations predict crack growth using a unique combination of an irreversible cohesive zone formulation and a strain gradient viscoplastic material model based on the Kocks–Mecking formulation. Cohesive zone damage parameters are estimated using sustained loading and constant‐amplitude cyclic loading experiments. Computations of crack extension under three different waveforms containing overloads all predict post‐overload retardation. The amount of retardation depends strongly on the overload ratio, consistent with experiments in the literature using similar waveforms. Analysis of the crack‐tip fields demonstrates retardation is associated with unloading in the highly deformed material near the advancing crack tip. Dynamic recovery and geometrically necessary dislocations are shown to significantly influence post‐overload crack extension.
Optimal growth temperature of Arctic soil bacterial communities increases under experimental warming
Authors: Rijkers Ruud , Rousk Johannes , Aerts Rien , Sigurdsson Bjarni D. , Weedon James T. 
Published: July 2022

AbstractFuture climate warming in the Arctic will likely increase the vulnerability of soil carbon stocks to microbial decomposition. However, it remains uncertain to what extent decomposition rates will change in a warmer Arctic, because extended soil warming could induce temperature adaptation of bacterial communities. Here we show that experimental warming induces shifts in the temperature–growth relationships of bacterial communities, which is driven by community turnover and is common across a diverse set of 8 (sub) Arctic soils. The optimal growth temperature (Topt) of the soil bacterial communities increased 0.27 ± 0.039 (SE) and 0.07 ± 0.028°C per °C of warming over a 0–30°C gradient, depending on the sampling moment. We identify a potential role for substrate depletion and time‐lag effects as drivers of temperature adaption in soil bacterial communities, which possibly explain discrepancies between earlier incubation and field studies. The changes in Topt were accompanied by species‐level shifts in bacterial community composition, which were mostly soil specific. Despite the clear physiological responses to warming, there was no evidence for a common set of temperature‐responsive bacterial amplicon sequence variants. This implies that community composition data without accompanying physiological measurements may have limited utility for the identification of (potential) temperature adaption of soil bacterial communities in the Arctic. Since bacterial communities in Arctic soils are likely to adapt to increasing soil temperature under future climate change, this adaptation to higher temperature should be implemented in soil organic carbon modeling for accurate predictions of the dynamics of Arctic soil carbon stocks.
Documentation and Prediction of Increasing Groundwater Chloride in the Twin Cities, Minnesota
Authors: McDaris John R. , Feinberg Joshua M. , Runkel Anthony C. , Levine Jonathan , Kasahara Sophie , Alexander E. Calvin 
Published: July 2022

AbstractWe provide a comprehensive overview of historic chloride concentrations in the groundwater of the Twin Cities metropolitan area (TCMA) in Minnesota, in order to define the extent of chloride contamination, due primarily to the seasonal application of deicing salt to roadways. Data collected from 1278 wells between 1965 and 2020 are representative of the major aquifers underlying the TCMA and establish a regional natural background chloride concentration of less than 10 mg/L. However, 55% of all measurements (1616 of 2943) are above 10 mg/L, with the highest concentrations found within the uppermost Quaternary aquifers. Chloride concentrations in underlying bedrock aquifers are negatively correlated with the thickness and clay composition of overlying materials. Most chloride measurements (92%) remain below chronic exposure limits set by state and federal authorities. Historical trends indicate that, if the current imbalance between chloride inputs and outflows persists, chloride concentrations in TCMA aquifers will surpass regulatory thresholds by midcentury as surface waters and Quaternary aquifer waters migrate into underlying bedrock aquifers. Most wells in this study are monitored annually, making it impossible to detect important sub‐annual fluctuations of chloride concentration that can exceed 40%.
Mapping frailty in people living with HIV: A nationwide study in Greece
Authors: Tsakona Dimitra , Kapetanakis Anargyros , Kyrou Dimitrios , Vrontaras Nikolaos , Xochelli Aliki , Metallidis Simeon , Tsachouridou Olga , Chini Maria , Meliou Maria , Psichogiou Mina , Basoulis Dimitrios , Antoniadou Anastasia , Protopapas Konstantinos , Panagopoulos Periklis , Petrakis Vasilis , Gogos Charalambos , Leonidou Leonidia , Karamanidou Christina 
Published: July 2022

AbstractObjectivesFrailty is known to affect people living with HIV prematurely, compared to the ageing seronegative population. In this cross‐sectional study, we aimed to assess frailty prevalence in people living with HIV in Greece and find associations of frailty criteria with clinical data.MethodsDemographic and clinical data were collected from 477 participants in six HIV clinics. Fried's frailty phenotype was used to assess frailty prevalence, and participants were classified as frail, pre‐frail or robust. Associations of several factors with overall frailty phenotype, as well as with frailty criteria, were explored.ResultsThe median age was 43 years old (IQR = 51.5) and 444/477 (93%) were men. Most of the participants (429/477, 93.5%) had an undetectable HIV viral load, and a CD4 cell count over 500 cells/μl (366/477, 76.7%). Frailty assessment classified 285/477 (62.1%) as robust, 155/477 (33.8%) as pre‐frail and 19/477 (4.1%) as frail. Weakness in grip strength was the most prevalent criterion (128/477, 26.8%), followed by exhaustion (46/477, 9.6%). Lower CD4 cell count, history of AIDS diagnosis, CNS disorders, psychiatric diagnoses, and polypharmacy were strongly associated with frailty.ConclusionsAlthough the prevalence of frailty in people living with HIV in Greece is uncommon, when combined with pre‐frailty over a third of people are affected, which requires attention in clinical practice. The physical and psychological aspects of frailty highlight the need for a holistic approach to prevent or counteract it. The diverse associations of frailty criteria with HIV‐related and non‐HIV‐related factors suggest a possible variation in people's different healthcare needs.
Development of innovative clean label emulsions stabilized by vegetable proteins
Authors: Cabrita Marta , Simões Sara , Álvarez‐Castillo Estefanía , Castelo‐Branco Diogo , Tasso Ana , Figueira Diogo , Guerrero Antonio , Raymundo Anabela 
Published: July 2022

SummaryThe consumer's perception that food is one of the main determining factors for health increases the demand for foods in line with this trend. The food industry is researching new ingredients, formulations, and technologies aiming to respond to this demand. Namely, product formulations are increasingly less complex, with fewer additives, and manufactured with commonly known ingredients, leading to the concept of clean label products. The present work aimed to develop a vegan and clean label mayonnaise by replacing egg yolk with vegetable protein, obtaining a product aligned with current food trends. Emulsions with 1.5% (w/w) powdered aquafaba, green pea, lupin, and faba bean proteins were prepared and compared to the commercial standard Mendes Gonçalves' mayonnaise. Texture (TPA) and rheology (SAOS) measurements showed that emulsions with lupin and faba bean protein had significant differences (P < 0.05) from the standard. Thus, these two proteins were assessed in a mixed system using different proportions – total protein content of 1.5% (w/w). Additionally, lupin protein showed a significant impact on mayonnaise structure and consistency. Backscattering and droplet size distribution measurements indicated that, except for faba bean, all the emulsions studied are stable and have a high potential for scale‐up.
The effect of subcritical water treatment on the physicochemical properties and α‐glucosidase inhibitory activity of Sargassum fusiforme polysaccharides
Authors: Zhang Mengqing , Zhang Zhenna , Guo Lichun , Zhao Wei 
Published: July 2022

SummaryIn order to make full use of Sargassum fusiforme (S. fusiforme), subcritical water treatment, an environmentally friendly method, was used to degrade polysaccharides to enhance their functional activity. Results revealed that average molecular weight decreased with increasing subcritical water treatment time or temperature. The depolymerisation kinetic was found to follow a first‐order kinetics model fitted to 1/Mt – 1/M0 = k • t. Structural characterisation exhibited that subcritical water treatment changed the molar ratio composition of monosaccharides, while the main functional groups of S. fusiforme polysaccharides did not change significantly. Rheological characterisation demonstrated that the three degraded polysaccharides displayed shear‐thinning behaviour and viscoelasticity. Except for natural polysaccharides, the α‐glucosidase inhibitory activity of the three degraded polysaccharides was superior to that of acarbose. Consequently, this study can provide scientific evidence for subcritical water treatment as a green and efficient method to prepare bioactive polysaccharides with low molecular weight.