bluuebunny/crossref_metadata_2025_split huggingface dataset:
Supporting evidence-based decision-making: Capacity Building through Research
Authors: Conallin John , Van Cauwenbergh Nora , Duncan Nicolette , Zin Win Win , Lunn Zau , Htike Htike , Martin Greg , Bogaard Thom , Franca Mário J. 
Published: March 2022

Abstract
Lack of data inhibits informed decision-making and is a critical challenge in developing countries, many of which are under-resourced in financial, technical and institutional capacity to collect and analyse the required data. This limits the countries’ ability to achieve development goals and keeps them dependent on the provision of external resources. Development initiatives often treat capacity building and research as two separate tracks of development. While efforts have been made in the health sector to combine these through project-based learning, this approach is relatively unexplored in the water sector which by its inter-sectoral nature stands to benefit significantly from a more collaborative and solution-oriented development strategy. Capacity Building through Research (CBtR) facilitates data collection and analysis by local researchers, mentored by international experts, strengthening local capacity to produce credible evidence able to inform sustainability-related decision-making. Five case studies piloting CBtR are discussed here and evaluated through criteria of the Dutch Strategy Evaluation Protocol framework. CBtR is shown to be a long-term strategy that requires the strengthening of cross-disciplinary networks to enhance the capacity of water management institutions, which likely contributes to more efficient evidence collection and analysis suitable for decision-makers, leading to greater national resilience and reduced need for external support.
Analysis of rainfall and temperature characteristics and its correlation with Southern Oscillation Index in Beijing, China
Authors: Xu Chengcheng , Sun Qingyan , Lu Chuiyu 
Published: March 2022

Abstract
In recent years, the urban area has continued to develop, and the demand for water resources is increasing. Rainfall, as an important source of water resources, is gaining more and more attention. Under this background, it is very necessary to analyse the changes in rainfall in Beijing, the capital of China. This study analysed the daily average temperature, rainfall data from 20 stations in the Beijing area in the past 50 years (1960–2012). Linear regression, mean variance, M-K method and ArcGIS spatial analysis are used to analyse Beijing's temperature and rainfall characteristics. These methods are applied to analyse the mutual relations between Beijing's rainfall, temperature changes and the Southern Oscillation Index (SOI). The results show that in the past 50 years in Beijing, the precipitation has shown a downward trend, the temperature has generally shown an upward trend, and the evaporation has generally shown a downward trend. The interrelation between regional climate change and the SOI is not significant. In the past 50 years, urban development has been closely related to the reduction of rainfall and increase in temperature. This study responds to the urgent need for research on the rainfall and temperature.
People's participation in using treated wastewater as an approach for sustainability of ecosystem services, green spaces, and farmlands in peri-urban areas: the case study of Kalak-e Bala, Karaj, Iran
Authors: Kordani H. , Chaplot Barkha , Dehkharghani P. Rasouli , Azamathulla H. M. 
Published: March 2022

Abstract
Water scarcity is the most significant challenge facing semi-arid and arid areas because fresh water is often transferred from other areas to these regions, and then discharged as wastewater. Irrigating agricultural lands and green spaces with treated wastewater (TWW) can be thus regarded as a way to reduce pressure on fresh water resources and lead to the utilization of ecosystem services, such as regulating and cultural ones. The most important factor affecting the expansion and sustainability of these areas is people's participation. Therefore, this study reflected on the weight of locals' willingness and attitudes as one of the most effective factors in the development of irrigation with TWW in peri-urban areas and ecological buffer zones. The main indicators were accordingly extracted from previous research and examined through a survey questionnaire, and then analyzed by structural equation modeling (SEM) in the AMOS and LISREL software packages. The indicators were related to individuals' health in product consumption (health), people's activities in farmlands and green spaces (assurance), and users' distance from farmlands (accessibility). The study results revealed that accessibility was the most important factor, and then health and assurance were effective in people's participation in agricultural activities in farmlands irrigated with TWW in peri-urban areas and increasing green-space buffer zones.
Illegal connection detection in a viscoelastic pipeline using inverse transient analysis in the time domain
Authors: Ebrahimi Ehsan , Shafai Bejestan Mahmood , Aminnejad Babak 
Published: March 2022

Abstract
Illegal connection (IC) in water supply systems and water network wastes water as well as energy and reduces water quality, which has negative technical and economic effects on water management. Transient-based defect detection is a powerful method applied in water pipelines. This paper investigates the efficiency of the transient-based inverse transient analysis (ITA) method in estimating the characteristics of ICs in the viscoelastic water supply system in the time domain. To better evaluate this method, an experimental transient model was developed using polyethylene pipelines (with a length of 158 meters and a nominal diameter of 2 inches). In the first step, the hydraulic transient solver was calibrated in the calibration approach of dynamic parameters of pressure wave speed and pipe wall viscoelasticity. Then, the sensitivity of the ITA method to the spatial step of the method of characteristics and signal sample size was assessed. Finally, the efficiency of the ITA method was evaluated for several experiments with different transient intensities and a noisy signal. The results indicated that the accuracy for locating the IC was higher than the accuracy for the IC's length.
Removal of nitrogen and phosphorus from water by sludge-based biochar modified by montmorillonite coupled with nano zero-valent iron
Authors: Xu Dezhi , Fan Xiulei , Chen Qing , Qiao Shuyun , Zhang Jiankun , Yang Yangyang , Wang Hong , Zhang Linjun , Hou Jun 
Published: March 2022

Abstract
Biochar prepared by thermal decomposition of sewage sludge is a new adsorbent for sludge resource utilization and aquatic environmental treatment. In this study, sewage sludge was used as raw material for the preparation of pyrolysis sludge-based biochar. In addition, montmorillonite (Mt) and nano zero-valent iron (nZVI) were used to modify sludge-based biochar in different combinations to improve its adsorption capacity of nitrogen and phosphorus in water, and the best modification scheme was selected. The physicochemical properties of the biochar were analyzed by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The results showed that Mt and nZVI could improve the specific surface area and enrich the surface functional groups. The results on kinetics and equilibrium isotherms showed that sludge-based biochar modified by Mt coupled with nZVI (nZVI@MBC) had the best adsorption effect on NH4+ and PO43−. And its theoretical maximum saturation adsorption capacity for NH4+ and PO43− was 34.84 mg·g−1 and 294.12 mg·g−1, respectively. Our results were in the forefront of existing literature on modified sludge-based biochar. The adsorption mechanisms of nZVI@MBC for NH4+ and PO43− mainly include ligand exchange, electrostatic attraction and ionic bond. In addition, nZVI@MBC can also remove PO43− by chemical precipitation and coprecipitation of iron corrosion products.
Apoptotic and Antiproliferative Potential of GAPDH from Mallotus
philippensis Seed on Human Lung Carcinoma: In Vitro and In Vivo
Approach
Authors: Sakthidhasan Periasamy , Kumar Perumal Sathish , Viswanathan Madepalli Byrappa Gowdu 
Published: March 2022

Aim:
The anticancer potential of a purified seed protein from Mallotus philippensis is
scientifically evaluated and reported here.

Background:
Seeds of Mallotus philippensis are used to treat various diseases in the indigenous
systems of medicine in India.

Objectives:
The present study deals with the isolation, purification, identification, and screening of
protein of interest that exhibit maximum activity against lung cancer cells from the seed crude
protein of Mallotus philippensis.

Methods:
Size-exclusion with HPLC was used to purify crude protein (15 mg) from M. philippensis
seeds. Protein of interest was identified using the LC-MS/MS method and analyzed by in vitro
(A549 cell lines) in vivo (B16-F10 cells from melanoma cancer-induced Wistar rats) to estimate
anticancer activity.

Results:
SDS-PAGE was applied to isolate and purify elution III (480 μg/ml). Elution III LCMS/
MS data were used to search the UniProt database and were eventually matched with
glyceraldehyde 3-phosphate dehydrogenase (GAPDH). MTT assay of GAPDH-treated A549 cells
exhibited an IC50 of 3.03 ± 0.39 μg (24 h) and 1.93 ± 0.19 μg (48 h). AO/EtBr staining showed
early and late apoptotic characteristics such as cell membrane blebbing, chromatin condensation,
and the formation of apoptotic bodies. Hoechst staining confirmed the death of cells by exhibiting
bright blue fluorescent, condensed, and fragmented nuclei. GAPDH-treated rats by 10 and 20 mg/kg
bw significantly increased body weight by 29.50 ± 3.06 and 31.33 ± 2.69, respectively, and
decreased melanoma metastasis in the lungs by 66.79% and 86.57%, respectively. Further, GAPDH
treatment significantly increased the levels of SOD, CAT, and GPx and reduced GST and GSH.
Histopathological analysis confirmed nuclear alteration in the lung tissue of the treated groups only.

Conclusion:
Apoptotic potential of GAPDH against lung carcinoma has been confirmed in the
present investigation.
Matrix Metalloproteinase Inhibitors: Current Status
Authors: Morphy J.R. , Millican T.A. , Porter J.R. 
Published: March 2022

Abstract:
Due to the increasing evidence for the involvement of the matrix metalloproteinases (MMPs) in a variety of tissue degenerative disorders, such as arthritis and cancer, there is considerable interest in designing agents which inhibit their action, either collectively or selectively. Historically, MMP inhibitors have been designed using knowledge of the substrate cleavage sites of the enzymes, early collagenase inhibitors bearing similarity to the cleavage site of type-1 collagen. This review will describe the recent design of specific inhibitors of stromelysin and gelatinase based upon their
own substrate preferences. The structure of these inhibitors will be rationalised in terms of the
recently published crystal structures of the MMPs. The development of a new generation of peptide-based, yet orally active, inhibitors will be reviewed and their progress towards the clinic assessed. Recent advances in the discovery of non-peptide MMP inhibitors will also be described.
Modern Drug Design and Lead Discovery: An Overview
Authors: Setti E.L. , Micetich R. 
Published: March 2022

Abstract:
The design of novel therapeutic agents to treat specific diseases has always been the aim of the medicinal chemist. Today, using the three­ dimensional structure of the target-ligand complex as the main tool, it is possible to design novel therapeutic compounds with a specific mode of action. Knowledge of the molecular basis of the disease, the structure of the
biological target (enzyme or receptor) and the mechanism of drug action are
essential to succeed in this challenging task.

In addition, the recent explosion of combinatorial chemistry techniques, along with the development of high throughput and automated techniques that permit screening of thousands of compounds per month against a given target, offer an unparallel opportunity for medicinal chemists to increase significantly the prospect of finding new bioactive molecules, in a relatively short period of time.
Recent Advances at the Interface of Medicinal and Combinatorial Chemistry. Views on Methodologies for the Generation and Evaluation of Diversity and Application to Molecular Recognition and Catalysis
Authors: Fenniri Hicham 
Published: March 2022

Abstract:
Over the past two decades, medicinal chemistry has witnessed a fundamental renaissance with regards to the methodologies and approaches to drug design and discovery. Rational design based on compu­ tational chemistry and solid state structure of receptors and enzymes is still an important approach in this field. Unfortunately, bacterial, viral, and cell re­ sistance to drugs as well as the appearance of previously unknown diseases
have dramatically increased the demand for new and more potent drugs. On the other hand, the
random screening of chemical compounds from natural sources has not only become limited in terms of diversity but also in terms of general methodologies for the rapid identification of the potent molecule. For these reasons, combinatorial chemistry, the science of diversity and "rational screening", appears to be the natural direction in order to overcome these limitations. Combinatorial chemistry has attracted researchers from areas as remote as materials science and catalysis and will surely bring more advances in the future. In this review we will discuss the methods for the generation of diversity along with screening processes associated with these, some applications in medicinal chemistry, and molecular recognition and catalysis.
Hydrogen Sulfide (H2S) Signaling as a Protective Mechanism against Endogenous and Exogenous Neurotoxicants
Authors: Aschner Michael , Skalny Anatoly V. , Ke Tao , da Rocha Joao BT , Paoliello Monica MB , Santamaria Abel , Bornhorst Julia , Rongzhu Lu , Svistunov Andrey A. , Djordevic Aleksandra B. , Tinkov Alexey A. 
Published: March 2022

Abstract:In view of the significant role of H2S in brain functioning, it is proposed that H2S may also possess protective effects against adverse effects of neurotoxicants. Therefore, the objective of the present review is to discuss the neuroprotective effects of H2S against toxicity of a wide spectrum of endogenous and exogenous agents involved in the pathogenesis of neurological diseases as etiological factors or key players in disease pathogenesis. Generally, the existing data demonstrate that H2S possesses neuroprotective effects upon exposure to endogenous (amyloid β, glucose, and advanced-glycation end-products, homocysteine, lipopolysaccharide, and ammonia) and exogenous (alcohol, formaldehyde, acrylonitrile, metals, 6-hydroxydopamine, as well as 1-methyl-4-phenyl- 1,2,3,6- tetrahydropyridine (MPTP) and its metabolite 1-methyl-4-phenyl pyridine ion (MPP)) neurotoxicants. On the one hand, neuroprotective effects are mediated by S-sulfhydration of key regulators of antioxidant (Sirt1, Nrf2) and inflammatory response (NF-κB), resulting in the modulation of the downstream signaling, such as SIRT1/TORC1/CREB/BDNF-TrkB, Nrf2/ARE/HO-1, or other pathways. On the other hand, H2S appears to possess a direct detoxicative effect by binding endogenous (ROS, AGEs, Aβ) and exogenous (MeHg) neurotoxicants, thus reducing their toxicity. Moreover, the alteration of H2S metabolism through the inhibition of H2S-synthetizing enzymes in the brain (CBS, 3-MST) may be considered a significant mechanism of neurotoxicity. Taken together, the existing data indicate that the modulation of cerebral H2S metabolism may be used as a neuroprotective strategy to counteract neurotoxicity of a wide spectrum of endogenous and exogenous neurotoxicants associated with neurodegeneration (Alzheimer’s and Parkinson’s disease), fetal alcohol syndrome, hepatic encephalopathy, environmental neurotoxicant exposure, etc. In this particular case, modulation of H2S-synthetizing enzymes or the use of H2S-releasing drugs should be considered as the potential tools, although the particular efficiency and safety of such interventions are to be addressed in further studies.
Differing Prevalence and Correlates of Metabolic Syndromes Between
Chlorpromazine and Clozapine: A 10-year Retrospective Study of a Male
Chinese Cohort
Authors: Cui Donghong , Li Zezhi , Xing Mengjuan , Sheng Jialing , Cui Mengxin , Su Yousong , Zhang Chengfang , Chen Xi , Fang Yu 
Published: March 2022

Background:
Antipsychotics are known to be associated with metabolic syndromes
(MetS). Chlorpromazine (CPZ) and Clozapine (CLZ) are currently the most commonly used antipsychotics
in low-income districts of China. However, potential differences in the long-term effects
of CPZ and CLZ on MetS in schizophrenia inpatients are not well understood. Here, we aimed to
identify any MetS profile differences between long-term schizophrenia patients who were prescribed
either CPZ or CLZ at a primary psychiatric hospital.

Methods:
We recruited a total of 204 male schizophrenia patients who received either CPZ or CLZ.
We measured their weight, height, body mass index (BMI), waist circumference (WC), diastolic
blood pressure (DBP), and systolic blood pressure (SBP), as well as their biochemical indicators,
including fasting blood glucose (FBS), triglycerides (TG), cholesterol (TC), high-density lipoprotein
cholesterol (HDL-c) and low-density lipoprotein cholesterol (LDL-c).

Results:
The MetS prevalence in the CPZ and CLZ groups was 31% and 37.5%, respectively. The
CLZ group had significantly higher DBP levels and a higher incidence of dyslipidemia (HDL-c) but
lower HDL-c and TC levels than the CPZ group. We also determined that smoking history, BMI,
and duration of hospitalisation were risk factors for the development of MetS. Moreover, we found
that CPZ and CLZ were correlated with the same risk for developing MetS and that BMI was a vital
risk factor of MetS for both the CPZ and CLZ groups.

Conclusion:
Long-term CPZ and CLZ prescriptions were associated with similar profiles for developing
MetS of schizophrenia patients.
Molecular Descriptors and QSSR Models in Asymmetric Catalysis
Authors: Yu Xinliang 
Published: March 2022

Abstract:
The 2021 Nobel Prize in Chemistry was awarded to small molecule asymmetric organocatalysis.
Quantitative structure−selectivity relationships (QSSR) based on linear free energy relationships
are crucial to predicting enantioselectivity in asymmetric catalytic reactions and to gaining insight
into the catalytic mechanism. Molecular descriptors describing steric effects and/or electronic
effects are described in this review. Subsequently, QSSR models in enantioselective catalysis are analyzed
and prospected.
Antipsychotic Medication Risk of Dementia and Death: A Propensity Matched Cohort Study
Authors: Lowe Xiu R. , Merchant Maqdooda , Whitmer Rachel A. 
Published: March 2022

Objective:
This study aimed to compare the incidence of dementia and all-cause mortality
up to 20 years post-treatment in an index non-demented cohort between antipsychotic (AP)
medication treatment and non-AP treatment groups.

Method:
All patients in Kaiser Permanente Northern California with a major psychiatric diagnosis
between 01/01/1996 and 12/31/2000, age ≥ 50 years, and without dementia diagnosis were
included. The study cohort was divided into a “user group”, patients treated with AP for ≥ 365
days (n = 1,829), and a “non-user group”, propensity score-matched on age, sex, and race (n =
9,145). The association between AP exposure and dementia or mortality during the follow-up period
(01/01/2001–12/31/2015) was evaluated using Cox proportional hazard models adjusted for
psychiatric diagnosis, comorbidities, and other medications.

Result:
The user group had a hazard ratio (HR) of 2.2 (CI 1.8–2.7) for dementia and 1.3 (CI 1.2-
1.5) for death. The onset of dementia in the user group was significantly higher in patients aged ≤
65 years (p < 0.001). The user group was sub-grouped into atypical, typical, and both; HR for
dementia was 1.7 (CI 1.2-2.4), 2.5 (CI 1.9-3.1), and 1.8 (CI 1.4–2.4), respectively. Dementia and
mortality were significantly higher in patients concurrently treated with benzodiazepine (HR 1.3;
CI 1.2-1.5 and HR 1.4; CI 1.3–1.5) or tricyclic antidepressants (HR 1.2; CI 1.1–1.4 and HR 1.1; CI
1.0-1.2), respectively.

Conclusion:
Our preliminary results reveal an association between AP treatment and increased
rates of both dementia and mortality. Future research is needed to substantiate our current findings.
A Data-Driven Algorithm to Recommend Initial Clinical Workup for Outpatient Specialty Referral: Algorithm Development and Validation Using Electronic Health Record Data and Expert Surveys
Authors: Ip Wui , Prahalad Priya , Palma Jonathan , Chen Jonathan H 
Published: March 2022

Background
Millions of people have limited access to specialty care. The problem is exacerbated by ineffective specialty visits due to incomplete prereferral workup, leading to delays in diagnosis and treatment. Existing processes to guide prereferral diagnostic workup are labor-intensive (ie, building a consensus guideline between primary care doctors and specialists) and require the availability of the specialists (ie, electronic consultation).

Objective
Using pediatric endocrinology as an example, we develop a recommender algorithm to anticipate patients’ initial workup needs at the time of specialty referral and compare it to a reference benchmark using the most common workup orders. We also evaluate the clinical appropriateness of the algorithm recommendations.

Methods
Electronic health record data were extracted from 3424 pediatric patients with new outpatient endocrinology referrals at an academic institution from 2015 to 2020. Using item co-occurrence statistics, we predicted the initial workup orders that would be entered by specialists and assessed the recommender’s performance in a holdout data set based on what the specialists actually ordered. We surveyed endocrinologists to assess the clinical appropriateness of the predicted orders and to understand the initial workup process.

Results
Specialists (n=12) indicated that <50% of new patient referrals arrive with complete initial workup for common referral reasons. The algorithm achieved an area under the receiver operating characteristic curve of 0.95 (95% CI 0.95-0.96). Compared to a reference benchmark using the most common orders, precision and recall improved from 37% to 48% (P<.001) and from 27% to 39% (P<.001) for the top 4 recommendations, respectively. The top 4 recommendations generated for common referral conditions (abnormal thyroid studies, obesity, amenorrhea) were considered clinically appropriate the majority of the time by specialists surveyed and practice guidelines reviewed.

Conclusions
An item association–based recommender algorithm can predict appropriate specialists’ workup orders with high discriminatory accuracy. This could support future clinical decision support tools to increase effectiveness and access to specialty referrals. Our study demonstrates important first steps toward a data-driven paradigm for outpatient specialty consultation with a tier of automated recommendations that proactively enable initial workup that would otherwise be delayed by awaiting an in-person visit.