bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tracing of phosphorus in river sediments using the structural equation modeling
Authors: Ebrahimi Eisa , Asadi Hossein , Rahmani Mohammad , Bayat Hossein 
Published: October 2024

ABSTRACT
Phosphorus (P) is transported into the water resources mainly due to soil erosion. Using the structural equation modeling, this study investigated the relative contribution of different P-producing sources in the Pasikhan River watershed, south of the Caspian Sea, Northern Iran. For this purpose, 79 surface soil samples and 14 suspended sediments were taken from the potential P sources and the river. These sources included undisturbed and degraded rangelands, forests, rice fields, tea gardens, and gullies. The built-in structural equations in PLS software were used for modeling purposes. The overall model fitting index (goodness of fit (GOF) = 0.591) showed the model's strong forecasting capability. Degraded rangelands, gullies, rice fields, and tea gardens significantly contribute to P in the river sediments. In particular, the highest contribution was related to degraded rangelands and gullies (intensity of the effect = 0.63 and 0.47). Finally, the results showed that gullies' contribution was 28.26% to the P production in river sediments, while the other sources had a relatively equal contribution. In conclusion, this study elucidates that undisturbed rangelands and forests exhibit negligible contributions to phosphorus levels in river sediments. Overall, the results confirmed that structural equation modeling is a robust and efficient approach to identifying P sources.
Ceftobiprole and Cefiderocol for Patients on Extracorporeal Membrane Oxygenation: The Role of Therapeutic Drug Monitoring
Authors: Castro Diana Morales , Granton John , Fan Eddy 
Published: October 2024

Introduction:
Limited data exist on therapeutic ranges for newer antimicrobials in the critically ill,
with few pharmacokinetic studies including patients undergoing renal replacement therapy or extracorporeal
membrane oxygenation (ECMO).

Case Representation:
These interventions can potentially alter the pharmacokinetic profile of antibiotics, resulting
in therapeutic failures, antimicrobial resistance, or increased toxicity. In this report, we present two ECMO
patients treated with cefiderocol and ceftobiprole, where therapeutic drug monitoring (TDM) aided in the
successful treatment of severe infections. Antibiotic trough concentrations in both cases were consistent with
previously reported therapeutic levels in critically ill and ECMO patients, meeting minimal inhibitory concentrations
recommended by the European Committee on Antimicrobial Susceptibility Testing for the respective
pathogens.

Conclusion:
Treatment might be suboptimal if doses are not adjusted based on physicochemical properties
and extracorporeal support. In an era marked by highly resistant pathogens, these cases highlight the importance
of timely access to real-time TDM for optimizing and individualizing antimicrobial treatment.
The Therapeutic Potential of Targeting Tumor Microenvironment and Modulation of Immunotherapy in Gastrointestinal Cancer
Authors: Sokhangouy Saeideh Khorshid , Jamialahmadi Hamid , Mortazavi Sani Mahdieh Sadat , Khalili-Tanha Ghazaleh , Rouzbehani Arian Karimi , Mahmoudvand Golnaz , Goudarzi Zahra , Fakouri Arshia , Farokhi Simin , Khazaei Majid , Hassanian Seyed Mahdi , Ferns Gordon A. , Nazari Elham , Avan Amir 
Published: October 2024

Abstract:
Immunotherapy, as a novel treatment approach for various disorders, including cancers, is designed to either stimulate or suppress the immune system with high speci-ficity. The recent achievements of this therapy in clinical trials are set to transform tradi-tional treatment methods. Furthermore, it holds promise for enhancing the survival rates of patients suffering from both metastatic cancers and primary stages. Gastrointestinal Cancers (GI) account for 26% of global incidence and 35% of worldwide deaths. Treat-ment can be carried out using targeted immunotherapy in these cancers. If the tiers are superior, improvement could require more enterprise. On account that the function of immunotherapy in GI has been so promising, solely in sufferers with severe metastatic levels, within the literature, the immune checkpoint inhibitors in cancer immunotherapy of GI cancers, chimeric antigen receptor T-cell (vehicle-T), modulators of the tumor mi-croenvironment, and drug resistance mechanisms in immunotherapy as an effective treatment approach to GI cancers along with colon, pancreas, gastric, and esophageal cancers have been addressed. This review provides an overview of FDA-approved im-munotherapy drugs and ongoing preclinical developments. Additionally, we offer in-sights into the future of immunotherapy for GI cancer patients, addressing the associated challenges.
Bioassay Guided Isolation and α-Glucosidase Inhibition Studies of a New Sesquiterpene from Ochradenus aucheri
Authors: Al Rabani Hamida K.M. , Khan Ajmal , Rizvi Tania Shamim , Ali Liaqat , Hussain Javid , Mabood Fazal , Halim Sobia Ahsan , Khalid Asaad , Al-Harrasi Ahmed 
Published: October 2024

Aims:
The aim of the current study was to explore the anti-diabetic potential of Ochradenus
aucheri Boiss (O. aucheri).

Methods:
All the fractions of O. aucheri were evaluated for α-glucosidase inhibition, followed by
bioassay-guided isolation which resulted in a new sesquiterpenoid, as a potential α-glucosidase inhibitor.

Results:
The preliminary screening showed that all the fractions including n-hexane (38.0 ± 1.38
μg/mL), dichloromethane (92.6 ± 6.18 μg/mL), ethyl acetate (29.2 ± 0.51 μg/mL) and n-butanol
(361.8 ± 5.80 μg/mL) displayed significant α-glucosidase inhibitory activity. The activity-directed
fractionation and purification of ethyl acetate fraction led to the isolation of one new sesquiterpenoid,
Jardenol (1), and two known metabolites: β-stitosterol-3-O-β-D-glucopyranoside (2) and
β-Sitosterol (3). To the best of our knowledge, these metabolites have not been isolated from this
plant previously. The structure of the new metabolite 1 was confirmed through 1D and 2D NMR
spectroscopy, and MS analysis. Compound 1 showed significant α-glucosidase inhibition with an
IC50 value of 138.2 ± 2.43 μg/mL as compared to positive control acarbose (IC50 = 942.0 ± 0.60
μg/mL). Additionally, in-silico docking was employed to predict the binding mechanism of compound
1 in the active site of the target enzyme, α-glucosidase. The docking results suggested that
the compound forms strong interactions at the catalytic site of α-glucosidase.

Conclusion:
The results of the present study indicated that the newly purified secondary metabolite,
Jardenol, can be a promising anti-diabetic compound.
Development and Validation of LC-MS Method for Determination of Genotoxic Impurity N, O-Dimethyl Hydroxylamine by Chemical Derivatization in Investigational Drug Substance
Authors: Shah Siddharth , Shah Umang , Patel Mehul , Patel Swayamprakash , Solanki Nilay 
Published: October 2024

Background:
Conventional chromatographic techniques and direct analysis pose challenges
in detecting certain potential genotoxic impurities, primarily due to factors such as the
absence of a chromophore, low molecular weight, and insufficient chromatographic retention
caused by high polarity. One such compound, N, O-Dimethyl Hydroxylamine, is of particular concern
due to its structural similarity to Hydroxylamine, a recognized genotoxic impurity.

Method:
In response to this challenge, this article proposes a rapid derivatization approach utilizing
Dansyl Chloride, coupled with Liquid Chromatography-Mass Spectrometry (LC-MS) for the
detection of the derivatized product in the investigational drug substance. To preserve confidentiality,
the specific name and structure of the drug substance have not been disclosed.

Results:
The developed method exhibits a reliable range of detection spanning from 5 ppm to 60
ppm with respect to a nominal drug substance concentration of 10 mg/mL. Throughout the
method validation process, it demonstrated specificity, sensitivity, linearity, accuracy, and repeatability.

Conclusion:
This methodology presents a versatile solution applicable in scenarios where N, ODimethyl
Hydroxylamine serves as a reagent in the synthesis process of drug substances.
A Compendium on Various Traditional Plants Used in the Management of Diabetes Mellitus
Authors: Mehla Shefali , Sharma Anjali , Mittal Vishnu , Sharma Devkant 
Published: October 2024

Background:
The prevalence of diabetes mellitus has escalated globally, posing a significant
public health challenge. While modern pharmacological interventions are available, there is
growing interest in traditional medicinal agents as alternative or complementary treatments for diabetes.

Aims and Objectives:
This study aims to identify and evaluate the efficacy of conventional drugs in
the treatment of diabetes, particularly focusing on herbal plants used in various traditional medicines.
The primary objectives include identifying anti-diabetic herbal plants, evaluating their efficacy, and
conducting docking studies to assess their anti-diabetic actions.

Methodology:
Relevant databases are searched to compile a comprehensive list of herbal plants with
documented anti-diabetic properties. Information on each plant, including its botanical name, family,
and components used, is collected. Evaluation of efficacy is conducted through a literature review
and analysis of reported studies. Docking studies are performed to assess the molecular interactions
between the active components of herbal plants and targets related to diabetes.

Results and Discussion:
The study has identified a range of traditional medicinal plants with potential
anti-diabetic properties. Various botanical species from diverse families have been documented for
their effectiveness in managing diabetes symptoms. The evaluation of efficacy suggests promising
outcomes for several herbal plants in controlling blood sugar levels and improving metabolic functions.
Docking studies reveal potential molecular mechanisms underlying the anti-diabetic actions of
these plants, providing insights into their therapeutic effects.

Conclusion:
The findings highlight the potential of herbal plants as alternative or complementary
treatments for diabetes. Further research and clinical trials are warranted to validate the efficacy and
safety of these plants in diabetic management. Integrating traditional medicines into conventional
diabetes care may offer additional therapeutic options and improve outcomes for patients.
Modified Release Interpenetrating Polymeric Network Hydrogel Beads of Montelukast Sodium Via Box Behnken Design
Authors: Basu Biswajit , Dutta Ayon , Ash Dipanjana , Rathod Ashish J. , Prajapati Bhupendra G. , Mukherjee Swarupananda 
Published: October 2024

Background:
Interpenetrating Polymeric Networks (IPN) are cross-linked polymeric alloys
developed when two or more cross-linked polymers inter-penetratingly entangle. Interpenetrating
polymeric networks possess several benefits including stability, biocompatibility, biodegradability,
high swelling ability, and modified release efficiency.

Aim:
The aim of this study is to design stable, control-released montelukast sodium-loaded IPN hydrogel
beads as a promising approach toward drug delivery.

Objective:
The goal of the present work was to develop Chitosan (swellable polymer) and glutaraldehyde
(cross-linker) based modified (controlled) released montelukast sodium IPN hydrogel beads.

Methods:
The montelukast sodium IPN hydrogel beads were prepared via the precipitation method,
and the final batch of IPN hydrogel beads was based on particle size, percent entrapment efficiency,
area of swelling, and cumulative percent drug release using an overlay plot in Box-Behnken design.
Compatibility studies (DSC, FT-IR) and microscopical observation (SEM) confirmed the compatibility
and sphericity of the formulations.

Results:
The optimized (comprising 2.01% chitosan and 0.48% glutaraldehyde) IPN hydrogel beads
having satisfactory particle size (817.76±54.49 μm), good entrapment efficiency (71.36±3.04%), and
area of swelling (27.00±1.68 mm2) showed swelling and pH-dependent controlled montelukast release
(92.96±1.05%) after 12 h with longer duration of action.

Conclusion:
The prepared montelukast sodium IPN hydrogel beads could be a potent control-released
drug delivery vehicle.
Dry-feed Added Quercetin Mitigates Cyclophosphamide-induced Oxidative Stress, Inflammation and Gonadal Fibrosis in Adult Male Rats
Authors: Olofinnade Anthony T. , Ajifolawe Oladotun B. , Onaolapo Olakunle J. , Onaolapo Adejoke Y. 
Published: October 2024

Background:
Cyclophosphamide (CYP), a widely used cancer chemotherapeutic agent has been linked with male gonadotoxicity, resulting in infertility. The notion that potent antioxidants could be beneficial in mitigating CYP-induced gonadotoxicity necessitated this research. Therefore, we examined the effects of feed-added quercetin on CYP-induced gon-adotoxicity in male rats.

Methods:
Male postpubertal rats were randomly assigned into six groups of 10 rats each. The normal control (fed standard rodent diet) and two groups fed quercetin-supplemented diet at 100 and 200 mg/kg of feed received normal saline intraperitoneally at 2 ml/kg daily. A fourth group which served as the CYP control (fed standard rodent diet) and the last two groups fed quercetin at 100 and 200 mg/kg of feed were administered CYP at 150 mg/kg/day. Rats were administered normal saline or CYP intraperitoneally on days 1 and 2, while standard diet or feed-added quercetin was administered daily for 21 days. On day 22, half of the animals were either sacrificed or paired with age-matched females for fertility assessment. Estimation of testosterone levels, antioxidant, anti-inflammatory markers, and histomorphological examination of the testis and epididymis was also assessed.

Results:
The administration of CYP was associated with weight loss, decreased food intake, decreased antioxidant capacity, increased gonadosomatic index, increased lipid peroxidation, sub-fertility, and histological evidence of gonadal injury. However, administration of querce-tin reversed CYP-induced changes.

Conclusion:
The result of this study suggests that dietary quercetin supplementation has the ability to mitigate CYP induced gonadotoxicity and mitigate subfertility in male rats. How-ever, further studies are required to assess its possible use in humans.
Molecular Docking, Pharmacophore Modeling and ADMET Prediction of Novel Heterocyclic Leads as Glucokinase Activators
Authors: Mehra Anuradha , Mittal Amit , Singh Shivangi 
Published: October 2024

Background:
A pivotal impetus has driven the development of numerous small molecules aiming to improve therapeutic strategies for type 2 diabetes. Glucokinase (GK) activation has been offered a new realm of therapeutic antidiabetic activity with novel heter-ocyclic derivatives. In the context of antidiabetic drug design, GK is an interesting and newly validated target. A key enzyme needed for blood glucose homeostasis is Glucokinase, which is dysfunctional in individuals with type 2 diabetes. Heterocyclic derivatives are utilized in this innovative approach to activate GK enzymes as medicinal agents that will significantly improve type 2 diabetes management.

Objective:
To address type 2 diabetes, as well as minimize unwanted side effects, this research endeavor aimed to develop activators of glucokinase.

Methods:
A rigorous scrutiny was conducted of the Maybridge online repository, which houses a formidable collection of 53,000 lead compounds. A collection of 125 compounds that contain the thiazolidinedione core was selected from this extensive collection. The struc-tures were generated using ChemDraw 2D, stabilized conformation with ChemBioDraw Ul-tra, and docked using Auto Dock Vina 1.5.6 in this methodology. In addition, log P was pre-dicted online using the Swiss ADME algorithm. The PKCSM software was used to predict the toxicity of the leading compounds.

Results:
The highest binding affinity was found for AS72 and AS108 to GK receptors. GI absorption and excretion of these compounds were efficient due to Lipinski's Rule of Five compliance. When compared with the standard drugs Dorzagliatin (GKA) and MRK (co-crys-tallized ligand), these substances demonstrated a notable lack of AMES toxicity, skin sensiti-zation, and hepatotoxicity.

Conclusion:
In recent studies, lead molecules that possess enhanced pharmacokinetic profiles, increased binding affinity, and lower toxicity were developed to act as glucokinase activators.
The Second Hyper-Zagreb Index and Coindex of Chemical Nanostructures
in Drugs
Authors: Alsharafi Mohammed , Zeren Yusuf , Ahmed Haifa , Alameri Abdu 
Published: October 2024

Introduction:
Various dendrimer nanoparticles have properties like multivalency,
controlled size, and surface functionality that make them promising nanocarriers for targeted drug
delivery and other applications in pharmaceutical sciences. The precise tunability of dendrimers is
an advantage over other nanoparticles. The topological descriptors can be used to predict the
physicochemical properties of dendrimers and optimize their branching pattern for specific
applications. The second hyper-Zagreb index and co-index are computed for various chemical
structures, including dendrimers, to facilitate the correlation between their structure and biological
activity.

Method:
In this study, the second Hyper-Zagreb index and second Hyper-Zagreb polynomials were
calculated for various chemical structures, such as the molecular graph of poly(propyl) ether imine
dendrimer PETIM, nanostar dendrimer (D3[p]), polypropylenimine octaamine dendrimer (NS1[p])
and (NS2[p]), polymer dendrimer (NS3[p]) and NS5[p]), fullerene dendrimer (NS4[p]), and other
classes of dendrimers.

Result:
By computing formulae and analyzing data and figures, we obtained new insights into the
features of structure-property connections for these types of compounds of nanostar dendrimers.

Conclusion:
The results can be used to optimize the properties of dendrimers for specific
applications.
Development of MyREADY Transition BBD Mobile App, a Health Intervention Technology Platform, to Improve Care Transition for Youth With Brain-Based Disabilities: User-Centered Design Approach
Authors: Marelli Ariane , Rozenblum Ronen , Bolster-Foucault Clara , Via-Dufresne Ley Alicia , Maynard Noemie , Amaria Khush , Galuppi Barb , Strohm Sonya , Nguyen Linda , Dawe-McCord Claire , Putterman Connie , Kovacs Adrienne H , Gorter Jan Willem 
Published: October 2024

Background
Transition from pediatric to adult health care varies and is resource intensive. Patient-centered health information technology (HIT) interventions are increasingly being developed in partnership with patients.

Objective
This study aims to develop an internet-based mobile app intervention for patients with brain-based disabilities to improve transition in care readiness.

Methods
The app was designed for patients aged 15 to 17 years with brain-based disabilities having the ability to use a mobile app. A multidisciplinary team, an industry partner, and a patient and family advisory council was assembled. We hypothesized that existing tools could be migrated into the app to address education, empowerment, and navigation. We used cognitive learning theory to support chapters targeting transition in care skill sets. We used the agile iterative methodology to engage stakeholders.

Results
We developed a novel MyREADY Transition HIT platform. An electronic mentor supported cognitive learning with messaging, quizzes, rewards, and videos. We used gaming to guide navigation through a fictitious health care city. Adapting existing tools was achieved by the patient and family advisory council requesting personalization. Our iterative design required time-consuming back-end technology management. Developing the platform took 24 months instead of our grant-approved 12 months, impacting the onset of the planned trial within the allotted budget.

Conclusions
A novel patient-centered HIT platform to improve health care transition was successfully developed in partnership with patients and industry. Careful resource management was needed to achieve timely delivery of the end product, flagging the cautious planning required to deliver HIT tools in time for the much-needed trials informing their clinical application.

Trial Registration
ClinicalTrials.gov NCT03852550; https://clinicaltrials.gov/study/NCT03852550
Improving transient gene expression and agroinfiltration‐based transformation effectiveness in Indonesian orchid Phalaenopsis amabilis (L.) Blume
Authors: Primasiwi Dionysia Heviarie , Purwestri Yekti Asih , Semiarti Endang 
Published: October 2024

Transient gene expression is an approach used to study transient genes across various species, with infiltration by Agrobacterium tumefaciens (agroinfiltration) being a commonly used method. Agroinfiltration offers a simple and effective means of delivering transgenes into the plant genome. An alternative method for enhancing the quality and productivity of orchids as ornamental plants is genetic modification through agroinfiltration. Although Agrobacterium‐mediated genetic transformation by immersion has been used on the Phalaenopsis amabilis (L.) Blume species of orchid, transformation efficiency using the immersion technique remains relatively low and the method itself is challenging due to its requirement for aseptic handling. The application of agroinfiltration in P. amabilis has not previously been reported. This study investigates the impact of the injection site, acetosyringone concentration, bacterial density (OD600), and injection volume to determine the optimum conditions for agroinfiltration on P. amabilis. The results demonstrated that injection site had a noticeably distinct impact on transformation effectiveness, with the abaxial position of the leaf being the optimal site for Agrobacterium culture suspension injection. While adjustments in acetosyringone concentration, bacterial density (OD600), and injection volume did not significantly affect transformation efficiency, they did influence the peak time of GFP fluorescence. Acetosyringone at a concentration of 200 µM, an OD600 of 1.0 for Agrobacterium culture, and an injection volume of 500 µL effectively accelerated GFP expression duration.
The Study of Removal of Polyvinyl Chloride (PVC) Particles from Wastewater through Electrocoagulation
Authors: Ramadani Azaria Ivana , Fardiyah Qonitah , Rumhayati Barlah 
Published: October 2024

Plastic was produced massively, especially using polyvinyl chloride (PVC) as a raw material. Unfortunately, this condition cause affects the environment, which creates a new pollutant issue. It is essential to study the removal of PVC microplastics in current water treatment processes. The study of wastewater treatment can be achieved using electrocoagulation, which has several benefits, including low-cost, simple chemicals, and accessible equipment operation. This research investigated the study of the removal of PVC microplastics from wastewater by electrocoagulation. The new potential of the electrocoagulation technique using Al-Al electrodes was studied systematically at various variations, i.e., electrolysis time, electrolyte concentration, initial pH, coagulation speed, and electrolyte type. The results showed that the PVC microplastics removal efficiency reached 100% after electrolysis for 60 min, electrolyte concentration of 0.01 mol/L, initial pH of 7, coagulation speed of 500 rpm, the type of electrolyte used was NaCl at a flocculation speed. These optimum conditions also reduced the value of turbidity of wastewater samples from 1.39 ± 0.02 to 1.10 ± 0.05 NTU. The results of this study provide an engineering perspective in optimizing operational parameters for removing PVC microplastics in aquatic environments.