bluuebunny/crossref_metadata_2025_split huggingface dataset:
Benchmarking GNNs for Blood-Brain Barrier Permeability Prediction
Authors: Dinesh Jidin , Pathinarupothi Rahul Krishnan , Soman K.P. 
Published: January 2023

Abstract
With the burden of deaths and disability caused by neurological disorders like Alzheimer's disease, Parkinson’s disease, and epilepsy on the rise, speeding up the novel neurotherapeutic drug discovery process becomes crucial. Determining whether a drug is blood-brain barrier permeable or not is a prerequisite for discovering all central nervous system (CNS) drugs. Accurate and high throughput screening of clinical CNS drugs candidates based on their blood–brain barrier (BBB) permeability therefore becomes important, given the high failure rate of drug candidates due to their inability to penetrate the BBB. Molecules being richly annotated molecular graphs with atom, bond, and substructure features make graph representation learning for blood–brain barrier permeability worth studying. In this work, we holistically benchmark the performance and generalizability of 4 graph neural network models - Message Passing Neural Network (MPNN), Graph Convolutional Network (GCN), Graph Attention Network (GAT), and Graph Isomorphism Network (GIN) to quantitatively and qualitatively predict the BBB permeability of molecules.
3S-IoT: An Algorithmic Approach to Smart and Secure IoT Network
Authors: Pant Maneesh , Kumar Sachin , Sharma Rahul Kumar , Alkhayyat Ahmed 
Published: January 2023

Abstract
The growing and the widespread existence of the Internet of Things (IoT) has made our lives easier and more convenient. However, it still needs to dominate challenges, such as efficiency, security, and high energy consumption, to enrich innovative IoT-based applications. Unicast communication is used for small-scale applications. Multicast is preferable in large-scale communication because it allows efficient transmission with fewer resources and is utilized in various IoT applications. Multicast traffic involves actuator control to handle critical applications. Securing multicast traffic is complex as it needs an efficient and flexible Group Key Establishment (GKE) protocol. Therefore, this paper presents a temper proof of a three-level security model that can maintain the efficiency and security of IoT and multicast communications. The first authentication is done at network linking, where a 256-bit keyless encryption technique has been employed. Machine learning-based chaotic map key generation authenticates the GKE as the second-level authentication. Finally, Message Digest Algorithm 5 (MD5) establishes the system key. 3S-IoT is smart to detect any tempering with the devices. It stores the signature footprints of the connected devices. The algorithm is equipped to report any attempt to change or temper a device. 3S-IoT can thwart attacks such as Distributed Denial of Service (DDoS), Man-in-the-Middle (MiTM), and phishing. The numerical analysis is done by evaluating energy consumed, bandwidth, and the time taken to check the robustness of the proposed model. The results show that 3S-IoT can efficiently deal with the attacks. The work's authenticity is validated by comparing the proposed work with existing benchmark algorithms.
Developing a prototype centre using agricultural smart sensors to promote agrarian production with technology
Authors: Nramat Wichai , Traiphat Wasakorn , Sukruan Phuachat , Utaprom Prachum , Tongsawai Saranyaras , Namgaew Suriya , Sodajaroen Suvinai 
Published: January 2023

This article presents the development of a model center using agricultural intelligent center technology. The goal of this research is 1. To develop a wireless sensor network. 2. To be a source of learning on the use of sensor technology in agriculture. For local and nearby farmers Using the Sufficiency Economy Learning Center, according to King's Science. The Rajamangala University of Technology Suvarnabhumi is a research area. With the problems faced in farming today. It found that the world's climate change whether it's drought. Rains leave ranges and toxic airborne particulate matter caused by farming to match current problem conditions. The researchers then designed a two-part system: 1. Node Moisture Sensor that measures soil moisture and commands the opening – It also controls on-off with a manual switch. Wind speed and wind direction sensors, light intensity sensors, temperature, and humidity sensors, and Particulate Matters Sensor 1.0, 2.5, 10 with environmental reports within the growing area via Wi-F signals to (Sever) Raspberry Pi record real-time data. Every 30 seconds According to research, node moisture sensors can measure soil moisture and record results, and the station measures the environment within the growing area via a Wi-F signal to (Sever) Raspberry Pi. Rainfall values measured by local rainfall sensors measuring up to 35.3 mm are within the threshold of heavy rain. The maximum wind speed measured is 8.5 km/h, the maximum temperature of 35.8 degrees Celsius, and the maximum humidity of 99.9 percent, the light intensity is up to 58,002 Lux, and the Final Particles, with pm 1.0 up to 40.1 microns, PM 2.5 up to 51.3 microns and PM 10 up to 63.5 microns. Apply agriculture to 50 interested farmers after receiving knowledge transfer of smart sensor technology. The expansion has resulted in 3 farmers and will continue to expand in the future. Promote the use of agricultural technology. Intensifying communities and supporting global climate change
Experimental determination of dynamic characteristics of a railway track
Authors: Zhangabylova Aigul , Bikhozhayeva Gulmira , Kvashnin Mikhail , Kurbenova Assel , Joldassova Kuralay 
Published: January 2023

It is known a priori that vibrations that occur in the elements of the track structure during the passage of a train load are a superposition of free and forced mechanical vibrations. It has been established that the range of oscillation frequencies of the elements of the track superstructure includes oscillations with a frequency from tens to hundreds and thousands of hertz. However, the influence of vibrations on the track and their dependence, in turn, on the design of the track, has not been fully studied, which causes controversy between specialists in this matter. There is an opinion that in intermediate fastenings, the main role is played by an elastic gasket, which ensures the vertical rigidity of the rail-sleeper assembly. It has been experimentally established that in the frequency range below the frequency of free oscillations of rail fastenings, the force applied to the upper surface of the elastic gasket is transferred to the lower surface in an unchanged form.
The article discusses the vibrations that occur in the elements of the upper structure of the track (rails, sleepers, rail fastenings, ballast base) during the passage of a moving load, which significantly affect the strength, and, consequently, the durability of both the elements themselves and the railway track generally. Vibrograms, oscillograms, accelerograms of rail oscillations and their spectra during the passage of TALGO are presented. At present, the VOSSLOH fastening, developed in Germany, has been widely used in the construction of tracks on high-speed railways of the Republic of Kazakhstan. In this regard, there is a need for a comprehensive study of the operation of this type of fastening under a train load
Somatic masks of anxiety disorder and therapy opportunities
Authors: Esin R. G. , Khaibullina D. Kh. 
Published: January 2023

Anxiety disorders are often found in the practice of doctors of all specialties and cause difficulties in making a diagnosis, which is associated with a variety of clinical manifestations. Traditionally, anxiety disorders are considered within the framework of neuroses and include conditions such as adjustment disorders, generalized anxiety disorder, and a number of somatoform disorders. The article gives a distinction between the concepts of “anxiety” and “anxiety disorders”. It should be noted that anxiety disorders cannot be considered in isolation from the concept of “stress”. Chronic stressful situations exacerbate or contribute to the development of somatic pathology, including neurological. The somatic manifestations of anxiety disorders are diverse and affect all organs and systems: cardialgia, tachycardia, heart rhythm disturbances, hyperventilation syndrome, abdominalgia, irritable bowel syndrome, neurodermatitis, etc. It is important to timely and correctly diagnose generalized anxiety disorder, which occurs both in isolation (borderline psychiatry) and in patients with various somatic pathologies and its main manifestation is generalized, persistent anxiety, not caused and not limited by any external circumstances, accompanied by autonomic, motor manifestations. Diagnostic criteria for generalized anxiety disorder are also presented in the article.To identify and objectify symptoms of anxiety in practice, it is advisable to use special questionnaires: the Hospital Anxiety and Depression Scale, the Hamilton Anxiety Scale, the Spielberger-Khanin Situational and Personal Anxiety Scale. The article presents a clinical case of a patient with anxiety disorder. The clinical picture and tactics of managing the patient are analyzed. The addition of etifoxine to therapy made it possible to stop the clinical manifestations of anxiety disorder in a short time.
Gut microbiota as one of the key regulators of metabolic diseases
Authors: Kostyuchenko L. N. , Vasina T. A. , Lychkova A. E. 
Published: January 2023

Introdiction. The presence of obesity in a patient or, conversely, malnutrition is accompanied by various metabolic disorders and is the focus of modern medical science and healthcare organizers.Objective. To reveal the mechanism of action (impact on motility through the intestinal microbiota) of the drug mebeverine in the structure of concomitant therapy for IBS.Material and methods. The index of nutritional insufficiency was proposed and calculated by us on the basis of the parameters of the alimentary-volemic diagnosis, expressed in points; up to 29 points – a mild degree of nutritional deficiency (the risk of surgery is minimal, the operation is possible after a short-term infusion preparation); 29–30 points – medium degree (the risk is relatively high, the operation is possible only after at least minimal preliminary infusion-alimentation correction); 31–33 – severe degree of nutritional insufficiency (the risk of surgery is high, surgery can only be performed in an emergency after minimal preparation or planned after a long preparation of the patient for surgery until the nutritional status is increased by 1–2 levels; 34–42 – extremely severe (only emergency surgery or palliative after preliminary preparation, raising, if possible, the nutritional status by 1–2 levels).Rehabilitation potential was determined according to generally accepted formulas. Microbiota was also determined by the traditional method. Electrical activity and the nature of motility were determined by it using a mingograph.Results and discussion. During the examination, it was revealed that the microbiota differs with different HN. At 29–30 points, HH and high RR occur. Rehabilitation potential (RP) has 4 levels of assessment: High rehabilitation potential implies the possibility of achieving a full recovery of healthConclution. Gut microbiota is a key regulator of metabolic disease. When taking mebeverine, it is advisable. Apparently, to apply a detoxification correction, because it is metabolized in the liver. There is no doubt that it is expedient to further study the state of the microbiota in the modern world with various TIN.
Features of preoperative diagnosis of chronic lymphoproliferative syndrome of ENT organs in young children
Authors: Drozdova M. V. , Larionova S. N. , Tyrnova E. V. 
Published: January 2023

Introduction. To determine the tactics of management of chronic lymphoproliferative syndrome in young children, a comprehensive examination is necessary. Herpesvirus infection (HVI) plays an important role in the etiology of hypertrophy of lymphoid formations of the pharynx.Purpose. To evaluate the results of preoperative diagnosis of chronic lymphoproliferative syndrome in children in early childhood.Materials and methods. In 96 patients aged 1 to 3 years 11 months with lymphoproliferative syndrome more than 3–6 months, endoscopy, otomicroscopy, impedance, ultrasound examination of abdominal organs, cervical and submandibular lymph nodes, serological and molecular genetic analyses of markers of EBV, CMV, HCV-6 in the blood; PCR in pharyngeal tonsil scrapings were performed.Results and discussion. The clinical picture in children with chronic lymphoproliferative syndrome of younger age was dominated by complaints of difficulty in nasal breathing, snoring in 42% of children, recurrent otitis in 58%, manifestations of asthenovegetative and intoxication syndromes and frequent acute respiratory viral infections in 70% of patients. A high degree of infection of children of the younger age group was revealed – HCV-6 in 87%, CMV in 63% of children, 46% – EBV. And high activity of the infectious process in 31% of patients for all three GVI, more often for EBV in 27%. A combination of two or three GVI was detected in 83% of patients. During instrumental examination, a high degree of hypertrophy of the nasopharyngeal tonsils (adenoid vegetations of 2–3 degrees – 67% and 3 degrees – 18%, combined with hypertrophy of the palatine tonsils in 27% of cases), an increase in neck lymph nodes of more than 16mm, including lymph node packs in 28% of younger children and reactive hepatosplenomegaly in 17.7% of patients.Conclusion. To determine the tactics of management of chronic lymphoproliferative syndrome in young children, it is important to assess the severity of lymphoproliferative syndrome according to the clinical picture and instrumental research methods (nasopharyngeal endoscopy, ultrasound examination of neck and abdominal lymph nodes) in combination with laboratory data and characteristics of the stage of activity of the infectious process of herpesvirus etiology.
Assessments of the impacts of land use/land cover change on water resources: Tana Sub-Basin, Ethiopia
Authors: Tesfaw Bewuketu Abebe , Dzwairo Bloodless , Sahlu Dejene 
Published: January 2023

Abstract
Change detecting land use/land cover helps assess and quantify its impact on water resources. This study aims to assess the impacts of land-use/land-cover change on water resources using the SWAT model in the Tana sub-basin, Ethiopia. The research detects and presents the changes between three LULC maps (1986, 2000, and 2014). The results suggest that over the last 28 years, the water body is the least disturbed and sub-afroalpine vegetation is the most transformed in terms of coverage. Cultivated lands gained a large area of cover from the other types. Most of the vegetation cover showed a decreased trend. Forest land and grassland decreased continuously while wetland showed a small variation compared to the other cover types. On the other hand, bush and shrubland recorded about a 1% increase in the total area and an unexpected fast decline in the second period. LULC changes would have an impact on water resources in the study area. The average annual water yield increased by 14.88 and 12.6%, baseflow increased by 18.4% and decreased by 7.16%, surface runoff increased by 12 and 16.16%, evapotranspiration decreased by 18.39 and 13.49%, for 2000 and 2014, respectively, compared to baseline 1986.
Predatory efficacy of Bdellovibrio stolpii isolated from the wastewater sources against the multidrug-resistant clinical isolates
Authors: Suresh Manikeri Shraddha , Rai Dhanyashree , Raj Juliet Mohan , Premanath Ramya , M Divyashree 
Published: January 2023

Abstract
The present study investigated the predatory efficacy of Bdellovibrio isolated from untreated hospital wastewater sources against human pathogens. Bdellovibrio is a Gram-negative, motile, uniflagellate predatory bacteria present in the environment, which directly predates on other bacteria, including human pathogens. In the present study, 30 hospital effluent samples were collected and screened for Bdellovibrio. A total of 11 Bdellovibrio isolates were obtained by the double-layer agar technique. All the isolates were identified by amplification of the 16S rDNA coding region using polymerase chain reaction (PCR) and confirmed as Bdellovibrio stolpii. The lytic activity of confirmed isolates was investigated against four Gram-negative bacteria Pseudomonas aeruginosa ADW44, Pseudomonas aeruginosa 27853(ATCC Strain), V. cholerae and Salmonella typhimurium of clinical origin obtained from the institutional repository. Among the 11 isolates, three Bdellovibrio isolates NBd1, YBd1 and RBd1 demonstrated the ability to prey upon the tested clinical isolates. To the best of our knowledge, this is the first report on the isolation of B. stolpii from hospital wastewater settings in India with broad and high bacteriolytic activity.
Prediction of the discharge coefficient for the rectangular notch with different hydraulic and geometric properties
Authors: Eltoukhy Mahmoud Ali R. , Alsaydalani Majed O. A. 
Published: January 2023

Abstract
This study aims to investigate experimentally the variation of the coefficient of discharge Cd with the rectangular notch hydraulic and geometric parameters such as water head h, notch height p, notch width B, and notch thickness t. The results show that the coefficient of discharge Cd increases with an increase of h and B while it decreases with t. There are no changes in the variation of actual discharge Qact and consequently the discharge coefficient Cd with h for notch height p more than 6 cm. An empirical formula was developed based on the dimensional analysis principle that can be used to predict the coefficient of discharge Cd value for the rectangular notch with known hydraulic and geometric data (h, B, p, and t).
Degradation of sulfonamide antibiotics in the rhizosphere of two dominant plants in Huixian karst wetland, Guangxi, China
Authors: Dong Kun , Wang WuBin , Li Min , Zhou Xinyu , Huang Yutong , Zhou Guozhi , Xu Yufeng , Wang Dunqiu , Li Hai-xiang 
Published: January 2023

Abstract
In this work, Phragmites australis and Vallisneria natans were selected as the research objects and were cultured for 10 d under 0.10 μg L−1 sulfadiazine (SD) stress in a simulated surface flow wetland reactor. SD degradation was conducted at pH = 7 and 25 °C for 96 h. Each plant group conformed to the first-order kinetic model of degradation, and the degradation rate increased with time, reaching the maximum at 96 h. At 96 h, the degradation rate of P. australis communities was higher than that of V. natans. SD metabolites showed that the degradation pathways in the plant rhizosphere were mainly hydroxylation, aminolation, and S–N bond cleavage. In the analysis of rhizosphere bacterial community structure, the bacterial phyla that could degrade antibiotics accounted for a large proportion. Compared with before degradation, the dominant phylum and genus did not change after degradation (96 h), but their abundance changed to varying degrees, and new genera appeared in the P. australis group. This research provides a reference for the degradation of antibiotics in karst areas and new information on the mechanism of SA degradation in the plant rhizosphere.
Evolving water resources management in response to socio-economical changes: Japanese experience in modernization over the past century
Authors: Ishiwatari Mikio , Nagata K. , Matsubayashi M. 
Published: January 2023

Abstract
As society develops, water resources management (WRM) should evolve in response to the changing public needs. This study examines the evolution of Japanese management mechanisms since modernization. Semi-structured interviews were conducted with decision makers and researchers, and government documents and academic papers were reviewed. We found that the country has developed legislation, financing investments, long-term plans, governance, and science and technology for WRM, and that the water sector contributed to modernization, reconstruction after World War II, and economic development. Japan has become more resilient to natural and biological disasters, more inclusive in providing equitable water services, and more sustainable in protecting the environment. However, issues of inflexible approaches, weak governance, and necessity of applying adaptation to climate and social changes were found.
Effectiveness In Vivo and In Vitro of Polymeric Nanoparticles as a
Drug Release System in the Treatment of Leishmaniasis
Authors: de Carvalho Moreira Lívia Maria Coelho , de Sousa Silva Ana Beatriz Almeida , de Araújo Medeiros Kaline , Oshiro Júnior João Augusto , da Silva Dayanne Tomaz Casimiro , de Lima Damasceno Bolívar Ponciano Goulart 
Published: January 2023

Abstract:
Leishmaniasis is a neglected disease caused by the parasite of the genus Leishmania.
Current treatment regimens are obsolete and cause several side effects, promoting
poor patient compliance, in addition to the vast majority already having the potential for
resistance. Therefore, polymeric nanoparticles emerge as one of the viable alternatives to
overcome existing limitations, through passive or active vectorization. This review aims
to summarize the latest studies of polymeric nanoparticles as an alternative treatment for
leishmaniasis. In the first section, the main pharmacokinetic and pharmacodynamic challenges
of current drugs are reported. The second section details how nanoparticles with
and without functionalization are efficient in the treatment of leishmaniasis, discussing
the characteristics of the polymer in the formulation. In this way, polymeric nanoparticles
can improve the physicochemical properties of leishmanicidal drugs, improving solubility
and stability, as well as improve the release of these drugs, directly or indirectly
reaching monocytes/macrophages. 64.28% drugs were focused on the treatment of visceral
leishmaniasis, and 28.57% on cutaneous leishmaniasis. The most chosen polymers in
the literature are chitosan (35.71%) and PLGA (35.71%), the others represented 14.30%
drugs, with all able to manage the drug release and increase the in vitro and/or in vivo efficacy
of the original molecule. However, there are several barriers for these nanoformulations
to cross laboratory research and is necessary more in-depth studies about the
metabolites and degradation pathways of the polymers used in the formulations and plasma
proteomics studies.