bluuebunny/crossref_metadata_2025_split huggingface dataset:
Targeting PD-1: A Computational Approach to Discover Small Molecule Inhibitors for Cancer Treatment
Authors: Chen Hubert 
Published: February 2025

Globally, cancer is a major burden of disease threatening human health. To date, immune checkpoint inhibitors, which are monoclonal antibodies used as monotherapy or in combination, have revealed remarkable clinical success in a wide range of solid tumors and hematologic malignancies. Given the limitations of antibody therapies, orally bioavailable small-molecule inhibitors present a viable alternative.
The discovery of new therapeutic drugs is complex, costly, and time-consuming. Leveraging a combination of computational methods can significantly accelerate the drug discovery process, enabling the identification of promising drug candidates from the large compound libraries. In the Silico Computational study, 30 hit compounds were initially retrieved by pharmacophore-based virtual screening. Thereafter, 5 compounds with lowest Gibb's free energy (ΔG) values, namely ZINC85867378, ZINC16267039, ZINC64219346, ZINC68604154 and ZINC20576138, have been chosen for further evaluation. This study establishes the workflow combining pharmacophore virtual screening, molecular docking, and absorption, distribution, metabolism, excretion - toxicity (ADMET) prediction to identify possible small molecules that can interact with PD-1. The identified compounds might serve as starting points to design potential safe and efficacious molecules in cancer Immunotherapy. Further evaluation is necessary to optimize drug properties.
Physiological Evaluation of Small Onion for Increasing Yield through Growth Regulators and Nutrient Mixture
Authors: Nithila S. , Amutha R. , Devi A. Nithya , Vijayalatha R. 
Published: February 2025

The production and demand for onion are relatively high. India has occupied the second position with 5.5 lakh hectares of area under onion cultivation with 77 lakh tonnes of production next to China in the world. Tamil Nadu is the major small onion producer for nearly 70 percent of total area in India. This work aimed to studying the effect of plant growth regulators and nutrient mixtures on growth, physiology and biochemical changes and yield of small onion. A field experiment has been taken at Horticultural College and Research Institute for women, Trichy during Oct 2023 to study the influence of plant growth regulators and nutrient mixture on maximizing the growth and yield of onion. The treatment includes control, foliar spray of Brassinolide 1.0ppm, Salicylic acid 100ppm, GA3 100ppm, NAA 100 ppm and combination of K2SO4 (1 %) + CuSO4 (0.5 %) + ZnSO4 (0.5 %) by using RBD with four replication. Two foliar sprays of growth regulators and nutrient mixture has been given on 25 and 45 DAP. The growth characters Viz., Plant height (31.93 cm) and No. of leaves (20) were highest in Brassinolide 1ppm treated plants at 60 Days After Planting. The root length was significantly varied among the treatments. Among the treatments Salicylic acid 100 ppm recorded the maximum root length of (10.06 cm). The quality attributes of the bulbs include total Soluble solids (12.18%), Pyruvic acid content (2.57 µmolg-1) were found with the foliar spray of Brassinolide 1ppm. Among the treatments highest bulb yield was recorded by Brassinolide 1ppm. The yield increase was 12 % compared to control followed by Salicylic acid 100ppm recorded the highest yield.
Physicochemical and Microbiological Characteristics of Surface and Groundwater Frequently Used by Households in Some Districts of Daloa, Côte d'Ivoire
Authors: Constant Zébré Arthur , Paul Attien Yao , Haziz Sina , Bethsabé Yao Amenan , Rose Koffi-Nevry , Nathalie Connil , Ibrahim Konaté , Lamine Baba-Moussa 
Published: February 2025

Background: Water is an essential resource for life and health. Its sanitary quality is an ongoing public health issue. Indeed, water-borne diseases are constantly evolving. In underdeveloped countries, access to drinking water remains a major concern for populations. Due to water supply shortages in Daloa, residents are turning to different sources, such as surface water and groundwater, for their needs. However, the quality of these waters is not monitored, posing serious health risks. This study aims to assess the physicochemical and microbiological characteristics of the various water sources used in the city.
Place and Duration of Study: The research was conducted at the Laboratoire of Agrovalorisation, Department of Biochemistry-Microbiology, Jean Lorougnon Guédé University of Daloa, from March 2024 to April 2024.
Methodology: We analyzed groundwater from 2 boreholes and 2 wells, and surface water from 2 lakes. A total of 60 samples were taken, 10 for each site. Physicochemical analyses included pH, temperature and the detection of certain heavy metals (Fe, As, Cd, Hg, Pb). Microbiological analysis was based on faecal and total coliforms, faecal streptococci and fungal flora (yeasts and moulds). Following identification of certain strains, an antibiogram was performed.
Results: Surface waters (lakes) are highly polluted. Microbial loads are as follows: MAG (405.105-659.105 CFU/mL), fecal coliforms (685.103-766.103 CFU/mL), fecal streptococci (39.102-45.102 CFU/mL) and fungal flora (659.103-685.103 CFU/mL). These values are well above WHO standards. The identification of microbial strains revealed the presence of Listeria sp, E. coli and Pseudomonas sp, which are pathogenic microorganisms. The antibiogram revealed multidrug-resistant strains.
Conclusion : The use of this water would constitute a risk for the health of the consumer.
Bioremediation of Petroleum Hydrocarbon-contaminated Soil Using Activated Sludge Derived from Vitellaria paradoxa Seed Wastewater
Authors: MODUPE KAYODE-ISOLA, TAYO , OLUSEGUN ADEBISI, OLUSOJI , SARAH OBUEKWE, IFEYINWA 
Published: February 2025

Contamination of soil with petroleum hydrocarbons (HCs) is a serious environmental challenge, posing severe immediate and long-term impacts as many of their constituents are potentially toxic, mutagenic and/or carcinogenic. In this study, activated sludge derived from Vitellaria paradoxa nut wastewater was evaluated for its most effective component in bioenhancement of a sandy soil that is low in nutrients and endogenous microbial affinity for HCs (<10% of HC concentrations converted to CO2 in 30 d). Soils contaminated with aviation fuel, kerosene, petrol, diesel and crude oil (1%w/w and 2%w/w) were bioenhanced with (i) HC-adapted mixed-culture degraders derived from activated sludge (bioaugmentation only), (ii) sterilised sludge (biostimulation only), and (iii) activated sludge (combined bioaugmentation and biostimulation). Mineralization, substrate-induced respiration, microbial biomass-C and PAH-degrading Pseudomonas population were monitored in the HC-contaminated soils over 30 d using standard methods. A consortium of HC-adapted degraders (applied at 1.2×106 cfu·gsoil–1) consistently produced significantly (p < 0.05) greatest extents of HC mineralization (362–450 vs. 58–87 mgCO2·10gsoil–1 in non-amended HC-contaminated soils). There was no much difference in the enhancement using sterilised sludge or activated sludge (199–376 vs. 204–312 mgCO2·10gsoil–1 respectively). Increases in PAH-degrading Pseudomonas number from 3.4 × 104 in control soil to x.x–y.y × 106 cfu·gsoil–1 in HC-contaminated soils were observed. Ecophysiological indices (e.g. microbial metabolic quotient qCO2, microbial respiratory efficiency MRE, and microbial respiratory coefficient QR) showed that the augmented degraders were well-adapted to the HC-contaminated soils with strong biodegradability, particularly to heavier HCs diesel and crude oil. This study revealed the use of activated Sludge Derived from Vitellaria paradoxa Seed Wastewater in bioremediation of Petroleum Hydrocarbon-Contaminated Soil could serve as a potent and applicable non-toxic method for degradation of hydrocarbon for contaminated land for resiliency.
Rigid and Flexible Bronchoscopy in the Sitting Position A Case Report and Historical Review
Authors: Dieter Raymond A. , Becker Heinrich D. , Kuzycz George B. , Dieter Raymond A. , Dieter Robert S. 
Published: February 2025

Abstract
Laryngotracheobronchial endoscopy techniques and equipment have rapidly advanced since the mid 1800's. Techniques and equipment continue to evolve as do the endoscopists. Older rigid equipment and endoscopy techniques have been rapidly replaced by the current modern flexible and video equipment training programs. Historically, sitting bronchoscopy has been utilized in both diagnostic and treatment situations. Upright positioning was more common when rigid bronchoscopy was the only option. As with many medical advances, older diagnostic and therapeutic techniques frequently are discarded and forgotten. Modifications in equipment have greatly reduced both the need for rigid and the need for the sitting position bronchoscopy. However, sitting or upright bronchoscopy utilization, usually flexible, continues on a limited basis at this time.
Human papillomavirus with co‐existing vulvar vestibulitis syndrome and vestibular papillomatosis
Authors: Origoni M , Rossi M , Ferrari D , Lillo F , Ferrari A.G 
Published: July 2002

AbstractObjective: The role of HPV infection in cases of vulvar papillomatosis and vulvar vestibulitis syndrome is still unclear and data from the literature is controversial. In this study we intended to investigate the prevalence of viral infection, with a multidisciplinary approach, in cases with a co‐existence of the two patterns. Method: Sixteen consecutive cases with diagnosis of vulvar vestibulitis syndrome and co‐existence of vestibular papillomatosis were enrolled in the study and investigated by the means of vulvar cytology, vulvoscopy, histology, ViraPap and Polymerase Chain Reaction. Result: Cytology, vulvoscopy and histology did not demonstrate suitable accuracy for the diagnosis. Viral DNA identification revealed two (12.50%) positive cases using PCR and one (6.25%) positive case with ViraPap. Conclusion: The results of the present investigation indicate that even in cases of co‐existing vulvar papillomatosis and severe vulvar vestibulitis syndrome, the prevalence of HPV infection is too low to be considered causal.
Fracture resistance of gamma radiation sterilized cortical bone allografts
Authors: Akkus Ozan , Rimnac Clare M. 
Published: July 2002

AbstractGamma radiation is widely used for sterilization of human cortical bone allografts. Previous studies have reported that cortical bone becomes brittle due to gamma radiation sterilization. This embrittlement raises concern about the performance of a radiation sterilized allograft in the presence of a stress concentration that might be surgically introduced or biologically induced. The purpose of this study was to investigate the effect of gamma radiation sterilization on the fracture resistance of human femoral cortical bone in the presence of a stress concentration. Fracture toughness tests of specimens sterilized at a dose of 27.5 kGy and control specimens were conducted transverse and longitudinal to the osteonal orientation of the bone tissue. The formation of damage was monitored with acoustic emission (AE) during testing and was histologically observed following testing. There was a significant decrease in fracture toughness due to irradiation in both crack growth directions. The work‐to‐fracture was also significantly reduced. It was observed that the ability of bone tissue to undergo damage in the form of microcracks and diffuse damage was significantly impaired due to radiation sterilization as evidenced by decreased AE activity and histological observations. The results of this study suggest that, for cortical bone irradiated at 27.5 kGy, it is easier to initiate and propagate a macrocrack from a stress concentration due to the inhibition of damage formation at and near the crack tip. © 2001 Orthopaedic Research Society. Punlished by Elsevier Science Ltd. All rights reserved.
Corticosterone release in response to repeated, short episodes of neonatal isolation : evidence of sensitization
Authors: McCormick Cheryl M. , Kehoe Priscilla , Kovacs Sandra 
Published: July 2002

AbstractRepeated isolation of neonatal rats produces persistent changes in physiology and behavior. In Experiment 1, we examined changes in plasma corticosterone (CORT) levels as a possible mechanism for the effects of isolation. Pups that were isolated from their mother and the nest for 1 h per day on postnatal days (PND) 2–9 were compared to control litters of pups that were either nonhandled or handled but not isolated. On PND 2, compared to nonhandled pups, handled pups had elevated CORT levels that returned to baseline levels within 30 to 60 min of return to the home cage. No significant elevation of CORT levels were found in handled pups on PND 9. The CORT levels of isolated pups were over twice those of nonhandled pups on PND 2 and four times those of nonhandled pups on PND 9. In Experiment 2, we investigated whether the increased CORT release in response to isolation on PND 9 was the result of the pups treatment on the previous six days as against an effect of maturation. Plasma CORT levels were measured in rat pups that were either isolated, handled or nonhandled on PNDs 2–8 during the conditions of isolation, handling and nonhandling on PND 9. There were no differences among the groups in basal plasma levels of CORT. Handling on PND 9 did not result in elevated CORT levels in any of the groups. All three groups showed a significant increase in plasma CORT levels after isolation on PND 9. However, the CORT response to isolation of pups previously isolated on PND 2–8 were significantly higher than pups that were either handled or nonhandled on PNDs 2–8. Thus, daily episodes of isolation potentiate the hypothalamic‐pituitary‐adrenal response to stress.
Developmental regulation of the brain polyamine‐stress‐response
Authors: Gilad Gad M. , Gilad Varda H. , Eliyayev Yishai , Rabey Jose M. 
Published: July 2002

AbstractA transient increase in brain polyamine metabolism, termed the polyamine‐stress‐response is a common response to stressful stimuli. Previous studies have implicated an over‐reactive polyamine response as a component of the maladaptive brain response to stressful events, and as a novel molecular mechanism involved in the pathophysiology of affective disorders. Ample evidence indicates that stressful experiences during early life can alter normal developmental processes and may result in pathophysiological and behavioral changes in the adult. Additionally, an important characteristic of affective disorders is their age dependency, a phenomenon that may be correlated with a maladaptive regulation of the hypothalamic‐pituitary‐adrenocortical (HPA) neuroendocrine system. In the present study we measured the activities of the enzymes ornithine decarboxylase and S‐adenosylmethionine decarboxylase as markers of polyamine synthesis and found that unlike adults, immature rats do not show the characteristic brain polyamine‐stress‐response. Instead of the characteristic increase observed in adults, ornithine decarboxylase activity in immature animals was reduced or remained unchanged (for up to 16 days of age) after a dexamethasone injection or restraint stress application. The ontogenesis of this ornithine decarboxylase response was brain region‐specific, indicating its dependence on the stage of neuronal maturation. Animals treated with dexamethasone at 7 days of age, showed increased behavioral reactivity in the open‐field test as adults and an attenuated increase in ornithine decarboxylase activity after a re‐challenge with dexamethasone at age 60 days. The results indicate that : (1) the brain polyamine‐stress‐response is developmentally regulated and its ontogenesis is brain region‐specific, indicating dependence on the stage of neuronal maturation ; (2) the switch to a mature polyamine‐stress‐response pattern coincides with the cessation of the stress hypo‐responsive period in the HPA system : (3) activation of the polyamine‐stress‐response, as in the mature brain, appears to be a constructive reaction, while its down‐regulation, as in the developing brain, may be implicated in neuronal cell death ; (4) an attenuated dexamethasone‐induced increase in ornithine decarboxylase activity implicates an altered polyamine‐stress‐response in the maladaptive response of the brain to stressful events.
Psychopathological predictors of suicide in patients with major depression during a 5-year follow-up
Authors: Schneider B. , Philipp M. , Müller M.J. 
Published: July 2002

SummaryObjective. It is widely known that the risk of suicide is higher in cases of major depressive disorders in comparison to the general population. The purpose of this study was to examine which psychopathologic symptoms during the index episode are predictors for an increased risk of suicide in the further course of major depression.Method. Mortality data were determined from a prospective study of 280 patients with major depression (DSM-III-R, single episode or recurrent) during a follow-up period of 5 years. The predictive power of different depressive symptoms including psychotic symptoms for suicide risk was investigated.Results.Patients who committed suicide(N = 16)during the follow-up period had reported significantly more often hypochondriacal preoccupations or delusions (but not delusions or preoccupations of impoverishment, guilt or sin), suicidal thoughts and suicide attempts as well as feelings of severe hopelessness during the index episode than still living patients or patients who had died from natural causes.Conclusion.These symptoms seem to be helpful early predictors for the risk of suicide during the further course of illness. This should be taken into account for suicide prevention in the course of major depression.
Investigations on the pharmacokinetic properties of Harpagophytum extracts and their effects on eicosanoid biosynthesis in vitro and ex vivo
Authors: Loew Dieter , Möllerfeld Jörg , Schrödter Andreas , Puttkammer Susanne , Kaszkin Marietta 
Published: July 2002

PurposeHarpagophytum extract and its marker substance harpagoside were shown to exert anti‐ inflammatory effects by interacting with the eicosanoid biosynthesis. In this study, different Harphagophytum extracts were tested with respect to inhibition of leukotriene and thromboxane biosynthesis in vitro and ex vivo. In addition, pharmacokinetic parameters of Harpagophytum extracts were investigated in vivo.Methods And SubjectsDifferent fractions of Harpagophytum extracts were tested in vitro in human whole blood samples for effects on basal and ionophore A23187–stimulated cysteinyl‐leukotriene (Cys‐LT) and thromboxane synthesis. Furthermore, in 3 independent studies with different numbers of human male volunteers, a Harpagophytum extract was administered orally and tested in whole blood samples for Cys‐LT and thromboxane B2 (TXB2) biosynthesis and for the determination of pharmacokinetic parameters of harpagoside.ResultsThe special Harpagophytum extract WS1531 had a stronger inhibitory effect on ionophore A23187–stimulated Cys‐LT levels compared with pure harpagoside or other extract fractions. Fractions without harpagoside had no pronounced inhibitory effect. When Cys‐LT levels were measured after oral intake of Harpagophytum extract, a biphasic but dose‐independent decrease of 28% and 58%, respectively, in basal Cys‐LT formation was observed. Pharmacokinetic studies with the Harpagophytum extract WS1531 showed that the maximum levels of plasma harpagoside were reached after 1.3 to 2.5 hours. A linear relationship between dose and the first maximal concentration (Cmax) or area under the curve (AUC) (0–1)/AUC(0‐∞) was observed.ConclusionsOur observations strongly indicate a close relation between serum harpagoside levels and the inhibition of leukotriene biosynthesis.Clinical Pharmacology & Therapeutics (2001) 69, 356–364; doi: 10.1067/mcp.2001.115445
Advanced Strategies of Biomimetic Tissue‐Engineered Grafts for Bone Regeneration
Authors: Xie Chang , Ye Jinchun , Liang Renjie , Yao Xudong , Wu Xinyu , Koh Yiwen , Wei Wei , Zhang Xianzhu , Ouyang Hongwei 
Published: May 2021

AbstractThe failure to repair critical‐sized bone defects often leads to incomplete regeneration or fracture non‐union. Tissue‐engineered grafts have been recognized as an alternative strategy for bone regeneration due to their potential to repair defects. To design a successful tissue‐engineered graft requires the understanding of physicochemical optimization to mimic the composition and structure of native bone, as well as the biological strategies of mimicking the key biological elements during bone regeneration process. This review provides an overview of engineered graft‐based strategies focusing on physicochemical properties of materials and graft structure optimization from macroscale to nanoscale to further boost bone regeneration, and it summarizes biological strategies which mainly focus on growth factors following bone regeneration pattern and stem cell‐based strategies for more efficient repair. Finally, it discusses the current limitations of existing strategies upon bone repair and highlights a promising strategy for rapid bone regeneration.
Magnetic Nanoparticle Composites: Synergistic Effects and Applications
Authors: Mourdikoudis Stefanos , Kostopoulou Athanasia , LaGrow Alec P. 
Published: May 2021

AbstractComposite materials are made from two or more constituent materials with distinct physical or chemical properties that, when combined, produce a material with characteristics which are at least to some degree different from its individual components. Nanocomposite materials are composed of different materials of which at least one has nanoscale dimensions. Common types of nanocomposites consist of a combination of two different elements, with a nanoparticle that is linked to, or surrounded by, another organic or inorganic material, for example in a core‐shell or heterostructure configuration. A general family of nanoparticle composites concerns the coating of a nanoscale material by a polymer, SiO2 or carbon. Other materials, such as graphene or graphene oxide (GO), are used as supports forming composites when nanoscale materials are deposited onto them. In this Review we focus on magnetic nanocomposites, describing their synthetic methods, physical properties and applications. Several types of nanocomposites are presented, according to their composition, morphology or surface functionalization. Their applications are largely due to the synergistic effects that appear thanks to the co‐existence of two different materials and to their interface, resulting in properties often better than those of their single‐phase components. Applications discussed concern magnetically separable catalysts, water treatment, diagnostics‐sensing and biomedicine.
Recent Advances in Ligand Design and Engineering in Lead Halide Perovskite Nanocrystals
Authors: Hills‐Kimball Katie , Yang Hanjun , Cai Tong , Wang Junyu , Chen Ou 
Published: May 2021

AbstractLead halide perovskite (LHP) nanocrystals (NCs) have recently garnered enhanced development efforts from research disciplines owing to their superior optical and optoelectronic properties. These materials, however, are unlike conventional quantum dots, because they possess strong ionic character, labile ligand coverage, and overall stability issues. As a result, the system as a whole is highly dynamic and can be affected by slight changes of particle surface environment. Specifically, the surface ligand shell of LHP NCs has proven to play imperative roles throughout the lifetime of a LHP NC. Recent advances in engineering and understanding the roles of surface ligand shells from initial synthesis, through postsynthetic processing and device integration, finally to application performances of colloidal LHP NCs are covered here.