bluuebunny/crossref_metadata_2025_split huggingface dataset:
Designing Optimized Drug Candidates With Generative Adversarial Network
Authors: Abbasi Maryam , Santos Beatriz P. , Pereira Tiago C. , Sofia Raul , Monteiro Nelson R. C. , Simões Carlos J. V. , Brito Rui , Ribeiro Bernardete , Oliveira Jose L. , Arrais Joel P. 
Published: March 2022

Abstract
Drug design is an important area of study for pharmaceutical businesses. However, low efficacy, off-target delivery, time consumption, and high cost are challenges and can create barriers that impact this process. Deep Learning models are emerging as a promising solution to perform de novo drug design, i.e., to generate drug-like molecules tailored to specific needs. However, stereochemistry was not explicitly considered in the generated molecules, which is inevitable in targeted-oriented molecules. This paper proposes a framework based on Feedback Generative Adversarial Network (GAN) that includes optimization strategy by incorporating Encoder-Decoder, GAN, and Predictor deep models interconnected with a feedback loop. The Encoder-Decoder converts the string notations of molecules into latent space vectors, effectively creating a new type of molecular representation. At the same time, the GAN can learn and replicate the training data distribution and, therefore, generate new compounds. The feedback loop is designed to incorporate and evaluate the generated molecules according to the desired property at every epoch of training to ensure a steady shift of the generated distribution towards the space of the targeted property. The results demonstrate that the proposed framework can generate realistic, novel molecules that span the chemical space. The proposed Encoder-Decoder model correctly reconstructs 99% of the datasets, including stereochemical information. The model's ability to find uncharted regions of the chemical space was successfully shown by optimizing the unbiased GAN to generate molecules with a high binding affinity to the Kappa Opioid and Adenosine A2a Receptor. Furthermore, the generated compounds exhibit high internal and external diversity levels 0.88 and 0.94, respectively, and uniqueness.
Universe: the dynamics of the minimum and maximum expansion states (Time: the collateral dimension)
Authors: Petrakis Sócrates Georges 
Published: March 2022

Abstract
Two proposals stand out in describing the evolution of the Universe; the predominant one predicts that the present expansion began at a certain instant and will not preserve any variation of energy that performs work; apparent flat Universe (Ω = 1) is advocated by relativistic calculations and observational data, with an end at its maximum expansion (3D Space); the other proposal considers that the Universe is cyclical, always alternating phases of expansion and contraction. This article aims to demonstrate that these two views can be correct by not being distinct, but complementary. Supported by the immutability of physical laws, analyses of concepts define an exclusive presence of 1D Space in static states of minimum and maximum expansion of the Universe. With our Universe (3D Space) created and existing between these extremes states, the Friedmann-Lemaître-Robertson-Walker (FLRW) metric, becomes inadequate for such an extension; therefore, the concept of absolute rest energy (1D Space) is applied, demonstrating that the complete evolution of the Universe is spatially dynamic in a perpetual time dimension, always recreating our Universe, and making possible a relative maintenance of any existence.
A comparison study of percutaneous endoscopic interlaminar discectomy and transforaminal discectomy for L5-S1 calcified lumbar disc herniation
Authors: Cheng Yuanpei , Cheng Xiaokang , Wu Han 
Published: March 2022

Abstract
Background: Percutaneous endoscopic lumbar discectomy (PELD) is a relatively safe and effective minimally invasive surgery in the treatment of calcified lumbar disc herniation (CLDH). However, studies on percutaneous endoscopic interlaminar discectomy (PEID) and percutaneous endoscopic transforaminal discectomy (PETD) for CLDH have rarely been reported. This research aimed to compare the clinical efficacy of PEID and PETD for L5-S1 CLDH.Methods: We retrospectively analyzed 54 consecutive patients with L5-S1 CLDH treated with PELD at our institution from August 2016 to August 2020. Patients were divided into PEID group (n = 28) and PETD (n = 26) group according to the surgical methods. The demographic characteristics and surgical results of the two groups were compared. Clinical outcomes were estimated by the visual analog scale (VAS) for leg pain, Oswestry disability index (ODI) and modified MacNab criteria.Results: All patients were successfully operated on by PEID or PETD. No significant differences in the demographic characteristics, intraoperative blood loss, postoperative hospital stay and complication rate were noted between the PEID and PETD groups. The excellent and good rates in the PEID group were similar to those in the PETD group (89.29% vs 88.46%, P = 1.000), whereas the PEID group exhibited superior results for operative time (min) (64.61 ± 5.60 vs 85.58 ± 8.52, P < 0.001) and fluoroscopy times (n) (2.93 ± 0.90 vs 13.35 ± 2.30, P < 0.001) compared with the PETD group.Conclusions: PEID has achieved good clinical efficacy as PETD for L5-S1 CLDH. Compared with PETD, PEID has the advantages of shorter operative time and a reduced number of fluoroscopy times in the treatment of CLDH.
A portrait of the bone mineral density of boys with Duchenne muscular dystrophy
Authors: Vale Sancha Helena de Lima , Lima Luana da Costa , Cunha Thais Alves , de Araújo Bárbara Gurgel Magalhães , Grilo Evellyn Câmara , Brandão-Neto José 
Published: March 2022

Abstract
Introduction Duchenne muscular dystrophy (DMD) patients are at risk of developing conditions that can compromise their bone health, such as fractures and walking impairment. We aimed to assess bone mineral density as a function of the age of DMD patients. Materials and Methods The cross-sectional study included 48 patients distributed into four groups by age: G1 (5.1-9.2 years), G2 (9.3-10.7 years), G3 (11.2-15.9 years), and G4 (18-24.7 years). Lumbar spine and total body bone mineral density (BMD) measurements were performed with dual-energy X-ray absorptiometry. Results There was a moderate negative correlation between age and the lumbar spine BMD Z-score (p = 0.001; r = -0.45) and a strong negative correlation between age and the total body BMD Z-score (p = 0.001; r = -0.79). The lumbar spine BMD Z-scores in G3 and G4 were significantly lower than those in G1 and G2 (p < 0.05). The total body BMD Z-score in G3 was lower than those in G1 and G2 (p < 0.05), and in G4 was lower ​​than those in the other groups (p < 0.05). Conclusion The older patients had lower lumbar spine and total body BMD Z-score values than younger patients. Moreover, these values ​​were negatively correlated with the age of the patients.
Várandósság Magyarországon - Jelentés a Kohorsz '18 Magyar Születési Kohorszvizsgálat 1. hullámáról
Authors: Veroszta Zsuzsanna , Boros Julianna , Kapitány Balázs , Kopcsó Krisztina , Leitheiser Fruzsina , Szabó Laura , Spéder Zsolt 
Published: March 2022

A KSH Népességtudományi Kutatóintézet 2017-ben indította el a Kohorsz '18 Magyar Születési Kohorszvizsgálatot. A longitudinális kutatás a gyermekek magyarországi felnövekedéséről és az azt befolyásoló tényezőkről ad képet.
A születési kohorszvizsgálatban az azonos időszakra, 2018/19-re várt gyermekek alkotnak közös induló kohorszot. Fejlődésük figyelemmel kísérése már magzati korban, az anyák várandósságának időszakában indul, majd a kutatás későbbi hullámaiban féléves, másfél éves, hároméves korban ismétlődik. A kohorszvizsgálat egyfelől a fejlődés különböző szempontjait kívánja megragadni, mint a fizikai, kognitív és érzelmi fejlődés, egészség, jóllét, teljesítmény és mobilitás. Másfelől vizsgálja a felnövekedést meghatározó tényezőket és ezek kapcsolatát, kölcsönhatásait is. Ezek lehetnek a családi és társas környezeti tényezők, a társadalmi/származási különbségek, az egészségi állapot, a pszichológiai jellegzetességek, valamint a gyermeket nevelő családok intézményi ellátottsága, foglalkoztatási helyzete, életmódja, várakozásai és tervei.
A Kutatási Jelentés az első, várandós adatfelvételi hullám eredményeit ismerteti.
A Kohorsz ’18 kutatás kiemelt projekt részeként, az EFOP–1.9.4–VEKOP–16: A szociális ágazat módszertani és információs rendszereinek megújítása európai uniós projekt keretében valósul meg.

A kiadványt, kérjük, a következőképpen hivatkozza:
Veroszta Zsuzsanna, Boros Julianna, Kapitány Balázs, Kopcsó Krisztina, Leitheiser Fruzsina, Szabó Laura, Spéder Zsolt (2021). Várandósság Magyarországon. Jelentés a Kohorsz ’18 Magyar Születési Kohorszvizsgálat 1. hullámáról. Kutatási Jelentések 104. KSH Népességtudományi Kutatóintézet, Budapest.
Evaluation and projection of the annual maximum streamflow in response to anthropogenic and climatic effects under nonstationary conditions in the Hanjiang River Basin, China
Authors: Hao Wenlong , Shao Quanxi , Wei Peng , Zhu Changjun , Chen Xi , Chen Rongbo 
Published: March 2022

Abstract
The flood regimes have been changing due to the climate change and human activities. Evaluating the flood risk under nonstationarity is critical to water resource management authorities in disaster reduction. In this study, the annual maximum streamflow (AMS) was used to analyze the nonstationarity in flood frequency in the Hanjiang River (HJR) Basin. A Generalized Additive Model for Location, Scale and Shape (GAMLSS) is employed to characterize nonstationarity in the AMS with time, as well as climatic and anthropogenic factors. Additionally, changes of the AMS in response to future climate change and human activity are also investigated. Results indicate that flood behavior can be better described by the nonstationary model with physically based covariates than that with time and the stationary model, implying that flood regimes of the HJR Basin are mainly influenced by anthropogenic and climatic factors including reservoir, precipitation and temperature. The precipitation and temperature projected by the Statistical Downscaling Model (SDSM) under two climate scenarios (RCP2.6 and RCP4.5) in the HJR Basin are characterized by an increasing trend over the period of 2006–2100. Furthermore, an increasing trend was found in the AMS during 2051–2100, indicating that flood risk is likely to increase in the future in the HJR Basin due to the climate change alone without further changes in hydrological engineering and flood management. The results quantified the flood frequency under nonstationarity conditions with physically based covariates and provided information to the decision-makers to address the potential risks posed to the HJR Basin.
Impact of climate-induced extreme events and demand–supply gap on water resources in Bangladesh
Authors: Rafiqul Islam M. 
Published: March 2022

Abstract
Agriculture, domestic users, and industry rely on water resources systems for fulfilling water demand, while water resources systems face both climate-induced extreme events and management and governance problems. These constraints lead to a mismatch between demand and supply of water for those sectors. This study applies central tendency and variability to analyze data and a mixed methods approach to interpret the result. From 1999 to 2019, the growth rates of population, gross domestic product, and urban population are ­1.354, 6.084, and 3.70%, respectively, contributing to increased water demand. However, the average groundwater depletion increased from 2.455 km3 (1989–1990) to 4.9016 km3, while the average flood-affected areas enhanced by 8,644 km2 in 2014–2018 compared to 1987–1991. Furthermore, salt-affected areas incremented by 222,810 ha in 2009 contrasted to 1973, whereas the mean wind speed of cyclones increased by 30.02 km in 2015–2020 compared to 1988–1995. The mean sea-level rise increased by 16.8 and 169.2 cm in 1995–2000 compared to 1979–1983 in Cox's Bazar and the Char Changa station, respectively. The Mann–Kendall test was applied to detect the trend. This study urges policymakers, water experts, and academics to promote rainwater harvesting that is sustainable to govern rainwater and mitigate water and economic poverty.
Prospective Investigation of Glutamate Levels and Percentage Gray Matter in the Medial Prefrontal Cortex in Females at Risk for Postpartum Depression
Authors: Ghuman Arjun , McEwen Alyssa , Tran Kim Hoang , Mitchell Nicholas , Hanstock Chris , Seres Peter , Jhangri Gian , Burgess Denee , Baker Glen , Melledo Jean-Michel Le 
Published: March 2022

Background:The substantial female hormone fluctuations associated with pregnancy and postpartum have been linked to a greater risk of developing depressive symptoms, particularly in high-risk women (HRW), i.e. those with histories of mood sensitivity to female hormone fluctuations. We have shown that glutamate (Glu) levels in the medial prefrontal cortex (MPFC) decrease during perimenopause, a period of increased risk of developing a major depressive episode. Our team has also demonstrated that percentage gray matter (%GM), another neural correlate of maternal brain health, decreases in the MPFC during pregnancy.Objective:To investigate MPFC Glu levels and %GM from late pregnancy up to 7 weeks postpartum in HRW and healthy pregnant women (HPW).Methods:Single-voxel spectra were acquired from the MPFC of 41 HPW and 22 HRW using 3- Tesla in vivo proton magnetic resonance spectroscopy at five different time points.Results:We observed a statistically significant interaction between time and group for the metabolite Glu, with Glu levels being lower for HRW during pregnancy and early postpartum (p<0.05). MPFC %GM was initially lower during pregnancy and then significantly increased over time in both groups (p<0.01).Conclusion:This investigation suggests that the vulnerability towards PPD is associated with unique fluctuations of MPFC Glu levels during pregnancy and early postpartum period. Our results also suggest that the decline in MPFC %GM associated with pregnancy seems to progressively recover over time. Further investigations are needed to determine the specific role that female hormones play on the physiological changes in %GM during pregnancy and postpartum.
Trastuzumab in Breast Cancer Treatment: The Era of Biosimilars
Authors: Peliçário Vargas Bárbara , Sari Marcel Henrique Marcondes , Ferreira Luana Mota 
Published: March 2022

Background:
The discovery of trastuzumab as anti-HER2 therapy has markedly improved disease control
and the survival rates of patients with HER2+ breast cancer. However, as trastuzumab is considered a complex molecule,
the cost of production is usually elevated, which significantly affects health budgets and limits the treatment
access for patients who live in underdeveloped countries. Recently, trastuzumab production has become more accessible
and sustainable due to the patents’ expiration, allowing biosimilar versions of trastuzumab to be developed.

Objective:
Our main goal was to shed more light on the uses of biosimilars in breast cancer treatment, emphasizing
trastuzumab.

Method:
An integrative search was carried out on the PubMed, Scielo, Web of Science, and SCOPUS databases using
the terms “biosimilar,” “breast cancer,” “monoclonal antibody,” and “trastuzumab.” The time range included scientific
articles published from 2015 to 2021.

Results and Discussion:
The bibliographic survey showed the complexities in biological medicine manufacturing and
how the monoclonal antibody’s therapy with trastuzumab improved the patients’ life expectancy, revolutionizing
HER2+ breast cancer treatment. Nonetheless, despite its benefits, trastuzumab generates certain restrictions, especially
from the economic perspective. Trastuzumab biosimilars have high selectivity and rarely cause adverse effects compared
to conventional chemotherapy.

Conclusion:
This study shows that trastuzumab biosimilars improve patients’ accessibility to breast cancer treatment
through a safe and effective therapy compared to the drug reference.
Therapeutic Application of Bavachalcone in Chronic Diseases: A Concise
Report on Medicinal Importance and Pharmacological Activities
Authors: Patel Dinesh Kumar 
Published: March 2022

Background:
Psoralea corylifolia L. is an important herbal medicine mainly used for the treatment of coronary artery disease, osteoporosis, bacterial infections, vitiligo, and psoriasis. P. corylifolia contains numerous active phytochemicals including bavachalcone. Polyphenolic compounds, including flavonoidal class phytochemicals are secondary plant metabolites found to be present in numerous plant species and reported to have multiple functions to counteract free radicals.

Methods:
The aim of the present study is to review the medicinal importance and pharmacological activities of bavachalcone. To know the therapeutic benefit of bavachalcone in medicine, here in the present work we have attempted to provide scientific information of bavachalcone. The present paper has been divided into the overview of flavonoids and P. corylifolia, pharmacological activities of bavachalcone, and analytical aspects of bavachalcone. Detailed pharmacological activities of bavachalcones have been discussed in the present paper. Further Bioanalytical aspects have been also discussed for development of analytical techniques for separation, isolation, and identification of bavachalcone. In the present work, numerous scientific databases such as PubMed, Science Direct, Scopus, Google Scholar, and Google have been searched.

Results:
Scientific data analysis revealed that bavachalcone is an important phytochemicals, found to be present in P. corylifolia. Scientific data analysis revealed the biological importance and therapeutic benefit of bavachalcone in medicine. Pharmacological data analysis revealed their effectiveness against cancer, oxidative stress, Alzheimer's disease, angiogenesis, tissue repair, osteoclastogenesis and various enzymes. Further pharmacokinetic and analytical data of bavachalcone have been also collected and analyzed in the present work.

Conclusion:
Scientific data analysis revealed that several molecular mechanisms are responsible for pharmacological activities of bavachalcone.
Ramie (Boehmeria nivea): A Functional Food and Herbal Medicine for
Inflammatory Bowel Disease (IBD) and the Promotion of Optimal Health
Authors: Lee Sue-Kei , Lee Zi-Xin , Lim Yau-Yan , Liew Kai-Bin , Akowuah Gabriel Akyirem , Chew Yik-Ling 
Published: March 2022

Abstract:
Boehmeria nivea, commonly known as ramie, is a functional food ingredient used by
Asians. It is also cultivated for its leaf fibres with excellent tensile strength, resistance to shrinkage,
and antimildew, antibacterial, and antifungal properties. Ramie leaves and roots are also consumed
as food, beverages, and medicinal herbs. This plant has been used as ethnomedicine for various
health complications, including hepatoprotective, antiviral, antipyretic, detoxification, reduced
swelling, etc. The ethnomedicinal uses of ramie in multiple countries, including China, Taiwan,
Japan, Korea, Sri Lanka, Bangladesh, and Malaysia, have been reviewed. The phytochemicals or
secondary metabolites reported in ramie have also been listed. Ramie has been found to exhibit numerous
promising pharmacological activities. Four pharmacological activities of ramie that are
closely related to treating and preventing inflammatory bowel disease (IBD) have been thoroughly
reviewed: anti-inflammatory, anti-colitis, anti-oxidative, and laxative.
A Review of International Teledermatology
Authors: McKoy Karen 
Published: March 2022

Background
The use of teledermatology has been evolving slowly for the delivery of health care to remote and underserved populations. Advancements in technology and the recent COVID-19 pandemic have hastened its use internationally.

Objective
An international survey was done to assess teledermatology use before and during the COVID-19 pandemic.

Methods
In addition to an updated literature review from 2015 to 2021, a survey instrument was formatted in Google Forms in English and distributed electronically to international personal contacts of the authors, as well as to international dermatology and teledermatology societies of members of the International League of Dermatological Societies and members of the International Society of Teledermatology. Answers from US dermatologists were excluded.

Results
110 survey responses were received from 33 countries. Barriers to the use of teledermatology have fallen considerably in the last year.

Conclusions
Teledermatology use has increased significantly in recent years in both government-sponsored and private health care systems and individual practices. There are no recognized international practice guidelines and there is variable use within countries. Many barriers remain to increasing the use of teledermatology.

Conflicts of Interest
None declared.
Development Strategies of Oelsonbai Research Center Scientific Tourism in KHDTK Oelsonbai Kupang
Authors: Herningtyas Wieke , Njurumana Gerson Ndawa , Feriani Maria Elisabet Saptaria , Mugiono Is 
Published: March 2022

Oelsonbai Research Center is one of the management instruments of Forest Area for Specific Purposes (Kawasan Hutan Dengan Tujuan Khusus) Oelsonbai to help promote research and development results bundled in scientific tourism package. The Oelsonbai Research Center development was still new, so this research aimed to determine development strategies of the Oelsonbai Research Center scientific tourism in forest area for specific purposes Oelsonbai. This research was conducted from June to July 2021. The research methods used were interviews using questionnaires on 33 respondents, field observation, in-depth interviews with the administrators, and Strength, Weakness, Opportunities, Threats (SWOT) analysis. The results indicated that Oelsonbai Research Center could develop into a tourism area. Therefore, strategies to develop the Oelsonbai Research Center are proposed in this research. The proposed strategies are: developing the potential of the area with better quality tourism objects, executing the created forest area and scientific tourism attraction planning, increasing socialization and promotion activities with digital media, increasing collaborative relations between researchers and other researchers and academics in education, research and scientific tourism, involving the community in tourism activities by establishing business institutions such as cooperatives and establishing cooperation with other parties in developing the Oelsonbai Research Center scientific tourism.
Keywords: Natural tourism, Oelsonbai Research Center, Scientific tourism, SWOT analysis, Tourism