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  1. Article ; Online: Application of Artificial Intelligence and Machine Learning in Drug Discovery.

    Gupta, Rishi R

    Methods in molecular biology (Clifton, N.J.)

    2021  Volume 2390, Page(s) 113–124

    Abstract: Machine Learning (ML) and Deep Learning (DL) are two subclasses of Artificial Intelligence (AI), that, in this day and age of big data provides significant opportunities to pharmaceutical discovery research and development by translating data to ... ...

    Abstract Machine Learning (ML) and Deep Learning (DL) are two subclasses of Artificial Intelligence (AI), that, in this day and age of big data provides significant opportunities to pharmaceutical discovery research and development by translating data to information and ultimately to knowledge. Machine Learning or AI is not really new but over last few years, application of better methods have emerged and they have been successfully applied for drug discovery and development. This chapter would provide an overview of these methods and how they have been applied across various work streams, e.g., generative chemistry, ADMET prediction, retrosynthetic analysis, etc. within drug discovery process. This chapter would also attempt to provide caution and pit falls in utilizing these methods blindly while summarizing challenges and limitations.
    MeSH term(s) Artificial Intelligence ; Big Data ; Drug Discovery ; Machine Learning
    Language English
    Publishing date 2021-11-03
    Publishing country United States
    Document type Journal Article
    ISSN 1940-6029
    ISSN (online) 1940-6029
    DOI 10.1007/978-1-0716-1787-8_4
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Evaluating Flexural Performance of Repaired Reinforced Concrete Beams under Static and Repeated Loading Using Non-Destructive Methods.

    Wang, Boyu / Gupta, Rishi

    Materials (Basel, Switzerland)

    2022  Volume 15, Issue 18

    Abstract: Deterioration of concrete structures is one of the major issues faced by the construction industry. Repair and rehabilitation are necessary to extend the service life of such structures. This study aims to investigate the effect of repair material type, ... ...

    Abstract Deterioration of concrete structures is one of the major issues faced by the construction industry. Repair and rehabilitation are necessary to extend the service life of such structures. This study aims to investigate the effect of repair material type, length of repaired region, and loading regime on the structural characteristics of the repaired reinforced concrete (RC) beams. To achieve this goal, a total of 30 repaired and non-repaired RC beams were prepared and tested under static and repeated loading conditions. Three types of sounding-based non-destructive test (NDT) methods are employed to determine the material deterioration and sub-surface delamination after repeated loading. Results showed that under static loading conditions, full-length repaired beams had better performance than 1/3-span repaired beams. Beams repaired with cementitious repair mortar containing modified binder and cementitious repair concrete in full length had a yield strength that was 14% and 9%, respectively, higher than that of beams repaired in 1/3 span. All RC beams with full-span repair outperformed the intact beams. After repeated loading, beams repaired with cementitious repair with modified binder over full length showed a 14% improvement in yield strength compared to control samples. It was found that repair materials that had a high compressive and flexural strength are beneficial. The resonant frequency drops correlate well with the yield strength results. The formulas proposed by Canadian Standards Association (CSA) 23.3 can effectively predict the moment resistance of both intact (control) and repaired RC beams. The ratio of experimental moment resistance values to its predictions ranges from 0.91 to 1.04.
    Language English
    Publishing date 2022-09-09
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2487261-1
    ISSN 1996-1944
    ISSN 1996-1944
    DOI 10.3390/ma15186276
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Toward a more generalizable blood RNA signature for bacterial and viral infections.

    Gupta, Rishi K / Noursadeghi, Mahdad

    Cell reports. Medicine

    2022  Volume 3, Issue 12, Page(s) 100866

    Abstract: Host-response profiles can discriminate different infections. A new 8-gene blood RNA signature to discriminate bacterial and viral infections extends our focus hitherto on the case mix from the US and Europe to include that of low- and middle-income ... ...

    Abstract Host-response profiles can discriminate different infections. A new 8-gene blood RNA signature to discriminate bacterial and viral infections extends our focus hitherto on the case mix from the US and Europe to include that of low- and middle-income countries.
    MeSH term(s) Humans ; Bacterial Infections/diagnosis ; Virus Diseases/diagnosis ; Virus Diseases/genetics ; RNA/genetics ; Diagnosis, Differential
    Chemical Substances RNA (63231-63-0)
    Language English
    Publishing date 2022-12-19
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Comment
    ISSN 2666-3791
    ISSN (online) 2666-3791
    DOI 10.1016/j.xcrm.2022.100866
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article: Contemporary Computational Applications and Tools in Drug Discovery.

    Cox, Philip B / Gupta, Rishi

    ACS medicinal chemistry letters

    2022  Volume 13, Issue 7, Page(s) 1016–1029

    Abstract: In the past decade or so there has been a dramatic increase in the number of computational applications and tools that have been developed to enable medicinal chemists to prosecute modern drug discovery programs more efficiently. The upsurge of user- ... ...

    Abstract In the past decade or so there has been a dramatic increase in the number of computational applications and tools that have been developed to enable medicinal chemists to prosecute modern drug discovery programs more efficiently. The upsurge of user-friendly, well-designed computational tools that enable structure-based drug design (SBDD) and cheminformatics (CI)-based drug design has equipped the medicinal chemist with an arsenal of tools and applications that significantly augments the entire design process, thereby enhancing the speed and efficiency of the design-make-test-analyze cycle. Modern computational applications and tools transcend all areas of drug discovery, and most savvy medicinal chemists can employ them effectively in a myriad of drug discovery applications. Indeed, the sheer scope and breadth of tools available to the medicinal chemist is vast and, to our knowledge, has not been comprehensively reviewed. In this article we have catalogued many computational tools, platforms, and applications that are currently available, with four main areas highlighted: commercially available tools/platforms, open-source applications, internally developed platforms (software tools developed within a pharma or biotech organization), and artificial intelligence/machine learning-based platforms. For ease of interpretation, for these categories we provide tables organized by vendor or organization name, the name of the application, whether the tool/application is employed predominantly for SBDD or CI-based design, and a summary of the main function of the tools, with associated hyperlinks to vendor Web sites. We have tried to be as comprehensive and as inclusive as possible; however, the pace of development of new and existing tools is so rapid that there may be omissions with respect to newly developed tools and current versions of the software.
    Language English
    Publishing date 2022-06-01
    Publishing country United States
    Document type Journal Article
    ISSN 1948-5875
    ISSN 1948-5875
    DOI 10.1021/acsmedchemlett.1c00662
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article: Applications of a Novel Tunable Piezoelectric Vibration Energy Harvester.

    Raghavan, Sreekumari / Gupta, Rishi / Sharma, Loveleen

    Micromachines

    2023  Volume 14, Issue 9

    Abstract: Conversion of ambient energy to usable electrical energy is attracting attention from researchers since providing a maintenance-free power source for the sensors is critical in any IoT (Internet of Things)-based system and in SHM (structural health ... ...

    Abstract Conversion of ambient energy to usable electrical energy is attracting attention from researchers since providing a maintenance-free power source for the sensors is critical in any IoT (Internet of Things)-based system and in SHM (structural health monitoring). Continuous health monitoring of structures is advantageous since the damage can be identified at inception and the necessary action taken. Sensor technology has advanced significantly, and MEMS (microelectromechanical systems)-based low-power sensors are available for incorporating into large structures. Relevant signal conditioning and transmission modules have also evolved, making them power-efficient and miniaturized. Various micro wireless sensor nodes (WSN) have also been developed in recent years that require very little power. This paper describes the applications of a novel tunable piezoelectric vibration energy harvester (PVEH) for providing autonomous power to low-power MEMS sensors for use in IoT and remote SHM. The novel device uses piezoelectric material and an ionic polymer-metal composite (IPMC) and enables electrical tuning of the resonant frequency using a small portion of the power generated.
    Language English
    Publishing date 2023-09-17
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2620864-7
    ISSN 2072-666X
    ISSN 2072-666X
    DOI 10.3390/mi14091782
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: Efficacy of intravitreal dexamethasone implant used as monotherapy for the treatment of macular edema in non-infectious uveitis: a retrospective analysis.

    Gupta, Rishi B / Ilin, Julius / Gottlieb, Chloe C

    Journal of ophthalmic inflammation and infection

    2023  Volume 13, Issue 1, Page(s) 42

    Abstract: Background: Uveitic macular edema is a complication of acute or chronic uveitis. Current treatment regiments frequently have numerous side effects, often requiring supplemental treatment. This study investigates the efficacy of dexamethasone (DEX) ... ...

    Abstract Background: Uveitic macular edema is a complication of acute or chronic uveitis. Current treatment regiments frequently have numerous side effects, often requiring supplemental treatment. This study investigates the efficacy of dexamethasone (DEX) intravitreal implants as monotherapy for treatment of macular edema in non-infectious intermediate, posterior or panuveitis.
    Methods and results: Retrospective chart review of thirty patients with intermediate, posterior and panuveitis treated with DEX. Outcomes measured were central retinal thickness (CRT) and best corrected visual acuity (BCVA). Baseline measurements of CRT and BCVA were measured within 1 month prior to intravitreal DEX implant and follow up measurements were collected until 1 year post implant. 48 implants on 39 eyes of 30 patients were included in this study; 64.1% of patients had an improvement in BCVA and 65.4% had a reduction in CRT. BCVA improved from 0.285 logMAR (SD: 0.312) at baseline to 0.175 logMAR (SD: 0.194) at 1 month and was sustained thereafter. Preliminary CRT data showed a decrease from 392 [Formula: see text] (SD: [Formula: see text]) at baseline to 303 [Formula: see text] (SD: [Formula: see text] at 1 month and 313 [Formula: see text] (SD: [Formula: see text] at 12 months.
    Conclusions: The DEX implant as monotherapy for macular edema in non-infectious uveitis was associated with a reduction in CRT and improvement in BCVA. The DEX implant, used as a monotherapy in eyes with intermediate, posterior and panuveitis, has the potential to treat uveitis without oral corticosteroid or other immunomodulatory therapy.
    Language English
    Publishing date 2023-09-18
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2592309-2
    ISSN 1869-5760
    ISSN 1869-5760
    DOI 10.1186/s12348-023-00360-3
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  7. Article ; Online: Advances in Biomass-Based Levulinic Acid Production

    Mthembu, Lethiwe D. / Gupta, Rishi / Deenadayalu, Nirmala

    Waste Biomass Valor. 2023 Jan., v. 14, no. 1 p.1-22

    2023  

    Abstract: Levulinic acid (LA) was discovered in 1875 by heating candy with concentrated acid. Since then, it has been generated in a variety of ways from commercial sugars and their products in-cluding glucose, fructose, cellulose, 5-(hydroxymethyl)furfural (5-HMF) ...

    Abstract Levulinic acid (LA) was discovered in 1875 by heating candy with concentrated acid. Since then, it has been generated in a variety of ways from commercial sugars and their products in-cluding glucose, fructose, cellulose, 5-(hydroxymethyl)furfural (5-HMF), maleic anhydride and furfuryl alcohol. However, the concern of food security has led to search for sustainable feedstock for the production of LA such as biomass. Although the use of biomass as substrate for LA synthesis offer various advantages, however, the shift to a bioeconomy remains difficult due to the several contributing variables that must be addressed, as detailed in this review. Various catalysts, including homogeneous, heterogeneous, and ionic liquids, have been employed in the development of an ecologically acceptable and lucrative method for producing LA from biomass. This study examines the literature on LA production from 1875 to 2021, what has been accomplished, and what ongoing obstacles exist.
    Keywords bioeconomics ; biomass ; candy ; cellulose ; feedstocks ; food security ; fructose ; furfural ; furfuryl alcohol ; glucose ; levulinic acid ; maleic anhydrides ; wastes
    Language English
    Dates of publication 2023-01
    Size p. 1-22.
    Publishing place Springer Netherlands
    Document type Article ; Online
    Note Review
    ZDB-ID 2541900-6
    ISSN 1877-265X ; 1877-2641
    ISSN (online) 1877-265X
    ISSN 1877-2641
    DOI 10.1007/s12649-022-01948-x
    Database NAL-Catalogue (AGRICOLA)

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  8. Article: Performance of Repaired Concrete under Cyclic Flexural Loading.

    Wang, Boyu / Gupta, Rishi

    Materials (Basel, Switzerland)

    2021  Volume 14, Issue 6

    Abstract: There is limited research reported on the effect of cyclic loading on cement-based repair materials as conducting such tests is time consuming. To overcome this issue, this study utilized a novel loading regime consisting of cycle groups with increasing ... ...

    Abstract There is limited research reported on the effect of cyclic loading on cement-based repair materials as conducting such tests is time consuming. To overcome this issue, this study utilized a novel loading regime consisting of cycle groups with increasing stress amplitude to accelerate the test process. The Palmgren-Minder rule was used to estimate the fatigue life of repaired specimens. Specimens repaired with Mix M (cementitious repair mortar), which was estimated to have the highest 2-million-cycle fatigue endurance limit (77.4%), showed the longest fatigue life (95,991 cycles) during the cyclic loading test, the highest slant, and splitting bond strength among all repair mixes. The estimated two-million cycle fatigue endurance limit of Mix S (70.8%) was very similar to that was reported in literature (71%) using the traditional loading method. This study confirms the usefulness of Palmgren-Minder rule on estimating the fatigue life of repaired specimens. Additionally, the use of the novel loading regime showed the benefit of shortening the test process while producing results similar to those from using traditional loading methods. To improve the prediction accuracy, future research is required to modify the failure criteria to accommodate specimens that may not fail even when the average flexural strength is met.
    Language English
    Publishing date 2021-03-11
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2487261-1
    ISSN 1996-1944
    ISSN 1996-1944
    DOI 10.3390/ma14061363
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Blood transcriptomic biomarkers for tuberculosis screening: time to redefine our target populations?

    Kumar Gupta, Rishi / Noursadeghi, Mahdad

    The Lancet. Global health

    2021  Volume 9, Issue 6, Page(s) e736–e737

    MeSH term(s) Biomarkers/blood ; Health Services Needs and Demand ; Humans ; Mass Screening/methods ; Transcriptome ; Tuberculosis/blood ; Tuberculosis/diagnosis
    Chemical Substances Biomarkers
    Language English
    Publishing date 2021-04-13
    Publishing country England
    Document type Journal Article
    ZDB-ID 2723488-5
    ISSN 2214-109X ; 2214-109X
    ISSN (online) 2214-109X
    ISSN 2214-109X
    DOI 10.1016/S2214-109X(21)00088-7
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: New Insights into the Limitations of Host Transcriptional Biomarkers of Tuberculosis.

    Noursadeghi, Mahdad / Gupta, Rishi K

    American journal of respiratory and critical care medicine

    2021  Volume 204, Issue 12, Page(s) 1363–1365

    MeSH term(s) Biomarkers ; Humans ; Mycobacterium tuberculosis/genetics ; Tuberculosis/diagnosis ; Tuberculosis/genetics
    Chemical Substances Biomarkers
    Language English
    Publishing date 2021-10-27
    Publishing country United States
    Document type Editorial ; Comment
    ZDB-ID 1180953-x
    ISSN 1535-4970 ; 0003-0805 ; 1073-449X
    ISSN (online) 1535-4970
    ISSN 0003-0805 ; 1073-449X
    DOI 10.1164/rccm.202109-2146ED
    Database MEDical Literature Analysis and Retrieval System OnLINE

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