bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computer-aided drug design approaches applied to screen natural product’s structural analogs targeting arginase in Leishmania spp
Authors: Barazorda-Ccahuana Haruna Luz , Goyzueta-Mamani Luis Daniel , Candia Puma Mayron Antonio , Simões de Freitas Camila , de Sousa Vieria Tavares Grasiele , Pagliara Lage Daniela , Ferraz Coelho Eduardo Antonio , Chávez-Fumagalli Miguel Angel 
Published: May 2023

Introduction: Leishmaniasis is a disease with high mortality rates and approximately 1.5 million new cases each year. Despite the new approaches and advances to fight the disease, there are no effective therapies. Methods: Hence, this study aims to screen for natural products' structural analogs as new drug candidates against leishmaniasis. We applied Computer-aided drug design (CADD) approaches, such as virtual screening, molecular docking, molecular dynamics simulation, molecular mechanics–generalized Born surface area (MM–GBSA) binding free estimation, and free energy perturbation (FEP) aiming to select structural analogs from natural products that have shown anti-leishmanial and anti-arginase activities and that could bind selectively against the Leishmania arginase enzyme. Results: The compounds 2H-1-benzopyran, 3,4-dihydro-2-(2-methylphenyl)-(9CI), echioidinin, and malvidin showed good results against arginase targets from three parasite species and negative results for potential toxicities. The echioidinin and malvidin ligands generated interactions in the active center at pH 2.0 conditions by MM-GBSA and FEP methods. Conclusions: This work suggests the potential anti-leishmanial activity of the compounds and thus can be further in vitro and in vivo experimentally validated.
Anti-angiogenic activity of Ficus deltoidea L. Jack silver nanoparticles using chorioallantoic membrane assay
Authors: Aryani Retno , Nugroho Rudy Agung , Manurung Hetty , Rulimada Muhammad Hafidz , Maytari Erin , Siahaan Angeline , Rudianto Rudianto , Jati Wibowo Nugroho 
Published: May 2023

Background: Ficus deltoidea L. Jack is a folk medicinal plant known for its pharmacological properties, including anti-inflammatory, anticancer and anti-angiogenic. This study aimed to evaluate the anti-angiogenic properties of silver nanoparticles biosynthesized using F. deltoidea leaf extract (AgNPs-Fd). Methods: The AgNPs-Fd were synthesized by mixing 100 mL 1 mM aqueous silver nitrate (AgNO3) and 100 mL 0.1% F. deltoidea ethanolic leaf extract. The resulting AgNPs-Fd were observed for color change and Tyndall effects. Reaction mixture color change from pale brown to reddish brown was observed at 48 h at 37°C. The characterization of AgNPs-Fd was completed with UV–Vis spectroscopy, transmission electron microscopy (TEM), X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy. For quantitative analysis of the vascular network in the chorioallantoic membrane (CAM) assay, AngioTool open-source software was used. Results: The plasmon resonance peak for AgNPs-Fd at 430 nm was visible in the UV-Visible spectrum, indicating the formation of AgNPs-Fd. The F. deltoidea extract and nanoparticles interacted well according to FTIR analysis. The AgNPs-Fd morphology of 20 nm particle sizes was observed using TEM. The chromatographic analysis of AgNPs-Fd identified potential anti-angiogenic compounds, such as phytol, stigmasterol, lupeol and sitosterol. The angiogenic inhibition properties of AgNPs-Fd were tested using the CAM assay. The 90 mg dose AgNPs-Fd treatment in CAMs demonstrated significant anti-angiogenesis, indicating effectiveness in controlling vessel formation. Conclusions: The present study suggests that eco-friendly work and the “green” process of AgNPs-Fd is potentially applicable for nanobiotechnology in anti-angiogenic fields.
Personalized Privacy Preservation in Consumer Mobile Trajectories
Authors: Macha Meghanath , Foutz Natasha Zhang , Li Beibei , Ghose Anindya 
Published: May 2023

The use of mobile technologies to collect and analyze consumer location data has created a multi-billion-dollar ecosystem with various stakeholders. However, this ecosystem also presents privacy risks to consumers. To address this issue, data aggregators can implement a privacy preserving framework that balances privacy risks to consumers with data utilities for advertisers. The proposed framework is personalized and flexible, allowing for quantification of personalized privacy risks and data obfuscation to reduce these risks. It can accommodate a variety of risks, utilities, and trade-offs between the two. The framework was validated on one million consumer location trajectories, revealing potential privacy risks in the absence of data obfuscation. Machine learning methods are used to demonstrate the effectiveness of the proposed framework which outperformed ten baselines from the latest literature, significantly reducing each consumer’s privacy risk while preserving advertiser utility. As the use of location big data continues to grow, this research offers a necessary framework to balance privacy risks and data utilities, sustain a secure and self-governing ecosystem, and ensure the protection of consumers’ personal data.
Walking the Purpose-Talk Inside a Large Company: Sustainable Product Development as an Instance of Divergent Change
Authors: Kimsey Marissa , Geradts Thijs , Battilana Julie 
Published: May 2023

There is a growing interest in large companies pursuing a new purpose—changing their core reason for being from a singular focus on financial gain to a renewed responsibility to people and the planet alongside profit. Yet knowledge of how a large company can walk that purpose-talk is still in its infancy. In this essay, we zoom in on the development of new sustainable products that embody a renewed responsibility to people and the planet. We conceptualize sustainable product development in a large company as an instance of divergent change and explore: How can sustainable products develop inside a large company in the face of the intense resistance that such a divergent change is likely to trigger? Building on our qualitative study from 2010 to 2019 of four products in a large fast-moving consumer goods company, we unpack two key leadership practices: (1) relaxing metrics for a product team, which (structurally) enables experimenting with a sustainable product separate from the mainstream business, and (2) advocating with gatekeepers, which (discursively) enables anchoring a sustainable product within the mainstream business. Overall, our findings suggest that sustainable product development will not do much to transform a large company if sustainable products remain merely tolerated exceptions. History: This paper has been accepted for the Strategy Science Special Issue on Corporate Purpose.
Degree of polarization model based on a modified three-component pBRDF
Authors: Zhang Zhiwei , Yang Zhiyong , Li Gengpeng , Chen Dong , Wang Xiaowei 
Published: May 2023

The polarized bidirectional reflectance distribution function (pBRDF)
model not only can quantify the radiation intensity, but also can
effectively describe the polarization characteristics of the scattered
light on the target surface. In this paper, a modified three-component
pBRDF model is proposed, which considers the reflection process to be
composed of specular reflection, multiple reflection, and volume
scattering. Key parameters such as the distribution of the microfacet,
geometrical attenuation factor, multiple reflection, and volume
scattering, are modified. The degree of polarization model is derived
based on the new pBRDF, when the incident light is natural light. The
degree of polarization of four coating fabric samples is measured by a
multi-angle polarization instrument, and the undetermined coefficients
in the model are inverted based on the experimental data. A comparison
of the measured and modeled results at a wavelength of 720 nm
reveals that the model can accurately describe the spatial
distribution of polarization characteristics of four samples and
control the errors within 0.06, 0.1, 0.04, and 0.09, which provides a
theoretical basis for polarization detection and polarization image
simulation.
Giant two-photon absorption of anatase TiO2 in Au/TiO2 core-shell nanoparticles
Authors: Wang Lijie , Chow Tsz Him , Oppermann Malte , Wang Jianfang , Chergui Majed 
Published: May 2023

We report on deep-to-near-UV transient absorption spectra of core-shell Au/SiO2 and Au/TiO2 nanoparticles (NPs) excited at the surface plasmon resonance of the Au core, and of UV-excited bare anatase TiO2 NPs. The bleaching of the first excitonic transition of anatase TiO2 at ∼3.8  eV is a signature of the presence of electrons/holes in the conduction band (CB)/valence band (VB) of the material. We find that while in bare anatase TiO2 NPs, two-photon excitation does not occur up to the highest used fluences (1.34  mJ/cm2), it takes place in the TiO2 shell at moderate fluences (0.18  mJ/cm2) in Au/TiO2 core-shell NPs, as a result of an enhancement due to the plasmon resonance. We estimate the enhancement factor to be of the order of ∼108–109. Remarkably, we observe that the bleach of the 3.8 eV band of TiO2 lives significantly longer than in bare TiO2, suggesting that the excess electrons/holes in the conduction/valence band are stored longer in this material.
A feasibility study demonstrating that independence, quality of life, and adaptive behavioral skills can improve in children with Down syndrome after using assistive technology
Authors: White Kaylin , Han Samuel S. , Britton Angela , Hendrix James 
Published: May 2023

Enhancing independence and quality of life are key modifiable outcomes that are short- and long-term goals for children with Down syndrome and for their parents. Here we report the outcome of a 4-week feasibility study in a cohort of 26 children with Down Syndrome, 7–17 years old, who used an assistive technology approach that incorporated smart device software and step-by-step pictures (the MapHabit System). Parents reported improvements in children’s activities of daily living, quality of life, and independence. They recommended this technology to other families. This report and its findings underscore the feasibility of using assistive technology in children with Down syndrome within home and family settings. A limiting factor is whether participants who did not complete the study, and thus were not included in analyses, might have impacted the study outcomes. The current findings that assistive technology can be used successfully and effectively in family and home settings set the stage for more informative systematic studies using assistive technology for this population.
Trial registration: The clinical trial is registered with ClinicalTrials.gov
Registration number: NCT05343468
Chocolate intake and muscle pain sensation: A randomized experimental study
Authors: Hajati Alexandra , Brondani Mario , Angerstig Lina , Klein Victoria , Liljeblad Linda , Al-Moraissi Essam Ahmed , Louca Jounger Sofia , Brondani Bruna , Christidis Nikolaos 
Published: May 2023

Background
Chocolate, as a cocoa-derived product rich in flavanols, has been used for medical and anti-inflammatory purposes. Therefore, the aim of this study was to investigate if the ingestion of different percentages of cocoa products affects the experimentally induced pain caused by intramuscular hypertonic saline injections in the masseter muscle of healthy men and women.

Methods
This experimental randomized, double-blind, and controlled study included 15 young, healthy, and pain-free men and 15 age-matched women and involved three visits with at least a 1-week washout. Pain was induced twice at each visit with intramuscular injections of 0.2 mL hypertonic saline (5%), before and after intake of one of the different chocolate types: white (30% cocoa content), milk (34% cocoa content), and dark (70% cocoa content). Pain duration, pain area, peak pain, and pressure pain threshold (PPT) were assessed every fifth minute after each injection, up until 30 min after the initial injection. Descriptive and inferential statistics were performed using IBM® SPSS (Version 27); significance level was set to p<0.05.

Results
This study showed that intake of chocolate, no matter the type, reduced the induced pain intensity significantly more than no intake of chocolate (p<0.05, Tukey test). There were no differences between the chocolate types. Further, men showed a significantly greater pain reduction than women after intake of white chocolate (p<0.05, Tukey test). No other differences between pain characteristics or sexes were revealed.

Conclusion
Intake of chocolate before a painful stimulus had a pain-reducing effect no matter the cocoa concentration. The results indicate that perhaps it is not the cocoa concentration (e.g., flavanols) alone that explains the positive effect on pain, but likely a combination of preference and taste-experience. Another possible explanation could be the composition of the chocolate, i.e. the concentration of the other ingredients such as sugar, soy, and vanilla.
ClinicalTrials.gov Identifier: NCT05378984.
Metabolic syndrome components and vitamin D availability relationship in late postmenopausal women
Authors: Izmozherova N. V. , Popov A. A. , Ryabinina A. V. , Vikhareva A. A. , Safianik E. A. , Spevak A. V. , Shambatov M. A. , Bakhtin V. M. 
Published: May 2023

BACKGROUND: The global prevalence of vitamin D deficiency is currently a real threat due to association with major chronic non-communicable diseases. Abdominal obesity, hypertension, dyslipidemia, and hyperglycemia contribute significantly to cardiometabolic risk in late postmenopausal women.AIM: to assess the frequency of deficiency and insufficiency of 25(OH)D in late postmenopausal residents of Yekaterinburg; to establish associations of 25(OH)D serum concentration with components of metabolic syndrome and severity of menopausal symptoms.MATERIALS AND METHODS: During the period from October 2018 to March 2020 145 independently living late postmenopausal residents of Yekaterinburg were enrolled in a cross-sectional study. The following scope of data regarding each of the subjects was collected: complaints and anamnesis, anthropometry, diagnosis of metabolic syndrome, arterial hypertension and diabetes mellitus, assessment of 25 (OH)D level by the ECLIA method, LDL-C, HDL-C levels, serum TG by the enzymatic colorimetric method, as well as the evaluation of the modified menopausal index.RESULTS: Adequate serum level of 25(OH)D was detected in 20.6% patients, insufficiency and deficiency were found in 33.1 and 46.2% cases, respectively. In patients with vitamin D deficiency and insufficiency, the most frequent metabolic syndrome components were arterial hypertension (p=0.02; OR 3.5; CI 1.2–10.6) and abdominal obesity (p=0.03; OR 2.8; CI 1.1–7.2). Vitamin D deficient subjects had significantly lower serum HDL and increased TG levels (p=0.04), compared to the adequately provided 25(OH)D patients. Vitamin D levels were not associated with the severity of menopausal symptoms in late postmenopausal women. Regular daily intake of 400–2000 IU of colecalciferol contributed to higher serum 25(OH)D level.CONCLUSION: a high prevalence of vitamin D deficiency among postmenopausal women of Yekaterinburg was detected. Diagnosis and correction of vitamin D levels are necessary for timely reduction of cardiometabolic risk, primarily due to the potential pleiotropic effects of D-hormone on the renin-angiotensin-aldosterone system, carbohydrate and lipid metabolism.
Prevalence of metabolic phenotypes among citizens of Arctic area of the Russian Federation (in Arkhangelsk city setting)
Authors: Postoeva A. V. , Dvoryashina I. V. , Kudryavtsev A. V. , Postoev V. A. 
Published: May 2023

BACKGROUND: Influence of obesity on the body at whole and with regard to metabolic changes is still unclear. In Russia there are a few data about prevalence of metabolic phenotypes among population based on epidemiological data.AIM: to assess the prevalence of metabolic phenotypes among citizens of Arctic area of the Russian Federation (in the Arkhangelsk city setting).MATERIALS AND METHODS: a cross-sectional study was conducted using a random sample of Arkhangelsk citizens (n=2380) 35–69 years old, which was obtained within a population study of cardiovascular diseases («Know your heart» (KYH)). The participants were divided into metabolic phenotypes according to the presence of obesity (BMI≥30 kg/m2) and metabolic syndrome (AHA/NHBLI): phenotype 1 — metabolically healthy normal weight, phenotype 2 — metabolically unhealthy normal weight, phenotype 3 — metabolically healthy obesity, phenotype 4 — metabolically unhealthy obesity.RESULTS: 2352 participants of KYH were included in the study, 982 (41,8%) men and 1370 (58,3%) women. Mean age was 53,9 (SD 9,7) years. The distribution of participants by metabolic phenotypes was as follows: 1167 (49,6%) persons had phenotype 1, 489 (20,8%) — phenotype 2, 248 (10,5%) — phenotype 3, 448 (19,1%) — phenotype 4. In men, the second common after the first phenotype was phenotype 2, while in women, the second position was shared by the 2nd and 4th phenotypes, which had approximately the same frequency. «Arterial hypertension» was the most prevalent component of metabolic syndrome and seen in 68–96% men and 38–94% women in the study with different phenotypes. The proportions of phenotypes with metabolic disorders increased with age.CONCLUSION: in a study of a random population sample within the framework of the concept of metabolic phenotypes, a half of the participants had no obesity and metabolic syndrome. Proportions of participants with metabolic disorders with and without obesity was 20% each. Only 10% of participants had «metabolically healthy» obesity. If excluding individuals without obesity and metabolic syndrome, the phenotype characterized by metabolic disorders in the absence of obesity was the most common among men. Phenotypes with metabolic disorders on the background of obesity or without obesity were equally common among women. The most common component of metabolic syndrome was «arterial hypertension». There was a tendency of accumulation of metabolic disturbances with age.
SPECT/CT with 99mTc-Tectrotide in the diagnosis of insulinoma
Authors: Yukina M. Yu. , Troshina E. A. , Nuralieva N. F. , Degtyarev M. V. , Mokrysheva M. G. 
Published: May 2023

BACKGROUND: Insulinoma is a pancreatic neuroendocrine tumor that manifests by impaired carbohydrate metabolism with the development of hypoglycemic syndrome. The instrumental methods used at the present stage do not always make it possible to identify a tumor; moreover, the data obtained often contradict each other. Thus, the search for new possibilities of visualization of insulinoma is relevant.AIM: Evaluation of diagnostic effectiveness of scintigraphy with single-photon emission computed tomography combined with X-ray computed tomography (SPECT/CT) with 99mTc-Tectrotide for insulinoma in a Russian cohort of patients.MATERIALS AND METHODS: A single-centre (Endocrinology Research Centre of the Ministry of Health of the Russia), experimental, single-stage, controlled study. In the years 2017–2021 patients with pancreatic insulinoma (group 1) and hyperinsulinemic hypoglycemia of a different genesis (group 2) with negative or contradictory results of the 1st line imaging methods (ultrasound, magnetic resonance imaging (MRI), computed tomography (CT)) were included. All participants underwent the whole-body scintigraphy and low-dose SPECT/CT with 99mTc-Tectrotide (500–900 MBq). The studies were performed on a tomograph of the SPECT/GE Discovery NM/CT 670 using low-energy high-resolution collimators (LEHR) in the «whole body» mode.RESULTS: In the group 1 (n=21), according to the results of a pathomorphological study, the presence of 26 insulin-producing tumors was confirmed. Group 2 included 9 patients. According to the SPECT/CT with 99mTc-Tectrotide, 14 tumors were diagnosed in group 1 out of 26 insulin-producing tumors of the pancreas, and negative results were obtained in group 2 in 100% of cases. Thus, the sensitivity and specificity of the method were: 54%, 95% CI [33%; 73%] and 100%, 95% CI [68%; 100%], respectively.CONCLUSION: SPECT/CT with 99mTc-Tectrotide can detect insulinoma in 54% of cases with negative or contradictory results of 1st-line imaging methods (ultrasound, MRI, CT). This study can be effectively used as an alternative to SPECT/CT with 111In-octreotide, as a 2nd-line method for topical search for an insulin-producing pancreatic tumor.
Effects of cadmium on the synthesis of active ingredients in Salvia miltiorrhiza
Authors: Fu Haihui , Yuan Jun , Liu Rongpeng , Wang Xiaoyun 
Published: May 2023

Abstract
Cadmium (Cd) could pose threats to human health by affecting Salvia miltiorrhiza (SM) safety. Cd enrichment trait and its effects on the active ingredient synthesis in SM remain unknown. Here we investigated the Cd concentration using ICP-MS-based method, physiologies (contents of malondialdehyde and proline, and activities of superoxide dismutase, peroxidase [POD], and catalase [CAT]), and LC-MS/MS-based metabolites of SM under 25, 50, and 100 mg kg−1 Cd stress. The results revealed that Cd concentrations, as it rose in soil, increased in roots and leaves of SM with transfer factors and bioconcentration factors below 1 in Cd-treated groups; POD and CAT activities and proline content increased and then declined. Amino acids and organic acids (especially d-glutamine [d-Gln], l-aspartic acid [l-Asp], l-phenylalanine [l-Phe], l-tyrosine [l-Tyr], geranylgeranyl-PP [GGPP], and rosmarinic acid [RA]) contributed more in discriminating SM roots of different groups. GGPP was negatively related to l-Tyr and l-Phe, and RA was positively related to d-Gln and l-Asp in SM. These results revealed that SM belonged to a non-Cd-hyperaccumulator with most Cd accumulated in roots, Cd could enhance phenolic acid synthesis via regulating amino acid metabolism and might inhibit tanshinone synthesis by declining the GGPP content, and proline, POD, and CAT played vital roles in resisting Cd stress. These provided new ideas and theoretical basis for further study on medical plants’ response to heavy metals.
The extirpation of medium and large mammal species from the Ehotilé Islands National Park, south-eastern Côte d’Ivoire
Authors: Zausa Diorne , Bogui Elie B. , Akpatou Bertin K. , Koné Inza 
Published: May 2023

Abstract
In West Africa, high deforestation rates and poaching have induced dramatic declines of mammal’s populations and local extinctions. Due to their isolation, island species are more vulnerable than mainland species. The premises of that scenario are perceptible in the Ehotilé Islands National Park, south-eastern Côte d’Ivoire, but have not been documented. This study aimed to update the diversity and conservation status of medium and large mammals in that protected area. Several surveys were conducted between 2019 and 2021, using ethno-zoological interviews and individual surveys with local populations, as well as reconnaissance walks and camera trapping to collect data on the presence or absence of mammals. From interviews with local populations and literature review, a list of 27 species of mammals that were potentially present in the park in the past was established. Most “lost” species are large mammals, especially primates that are globally threatened. A total of 11 species were pictorially identified, including two Near threatened species (Aonyx capensis and Hydrictis maculicollis) and one Vulnerable species (Cercopithecus lowei). The study confirms a trend of population decline and the erosion of mammal diversity in the park, hence highlighting the need for urgent conservation actions.