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Predicting short-term thromboembolic risk following Roux-en-Y gastric bypass using supervised machine learning

World Journal of Gastrointestinal Surgery 2024年第4期16卷 1097-1108页

作者： Hassam Ali Faisal Inayat Vishali Moond Ahtshamullah Chaudhry Arslan Afzal Zauraiz Anjum Hamza tahir muhammad Sajeel Anwar Dushyant Singh Dahiya muhammad Sohaib Afzal Gul nawaz Amir H Sohail muhammad Aziz Department of Gastroenterology East Carolina University Brody School of MedicineGreenvilleNC 27834United States Department of Internal Medicine Allama Iqbal Medical CollegeLahorePunjab 54550Pakistan Department of Internal Medicine Saint Peter's University Hospital and Robert Wood Johnson Medical SchoolNew BrunswickNJ 08901United States Department of Internal Medicine St.Dominic's HospitalJacksonMS 39216United States Department of Internal Medicine Rochester General HospitalRochesterNY 14621United States Department of Internal Medicine Jefferson Einstein HospitalPhiladelphiaPA 19141United States Department of Internal Medicine UHS Wilson Medical CenterJohnsonNY 13790United States Division of Gastroenterology Hepatology and MotilityThe University of Kansas School of MedicineKansasKS 66160United States Department of Internal Medicine Louisiana State University HealthShreveportLA 71103United States Department of Surgery University of New Mexico School of MedicineAlbuquerqueNM 87106United States Department of Gastroenterology and Hepatology The University of ToledoToledoOH 43606United States

BACKGROUND Roux-en-Y gastric bypass(RYGB)is a widely recognized bariatric procedure that is particularly beneficial for patients with class III obesity.It aids in significant weight loss and improves obesity-related medical conditions.Despite its effectiveness,postoperative care still has challenges.Clinical evidence shows that venous thromboembolism(VTE)is a leading cause of 30-d morbidity and mortality after RYGB.Therefore,a clear unmet need exists for a tailored risk assessment tool for VTE in RYGB candidates.AIM To develop and internally validate a scoring system determining the individualized risk of 30-d VTE in patients undergoing RYGB.METHODS Using the 2016–2021 Metabolic and Bariatric Surgery Accreditation Quality Improvement Program,data from 6526 patients(body mass index≥40 kg/m^(2))who underwent RYGB were analyzed.A backward elimination multivariate analysis identified predictors of VTE characterized by pulmonary embolism and/or deep venous thrombosis within 30 d of RYGB.The resultant risk scores were derived from the coefficients of statistically significant variables.The performance of the model was evaluated using receiver operating curves through 5-fold cross-validation.RESULTS Of the 26 initial variables,six predictors were identified.These included a history of chronic obstructive pulmonary disease with a regression coefficient(Coef)of 2.54(P7%(Coef 1.19,P<0.001),venous stasis history(Coef 1.43,P<0.001),and preoperative anticoagulation use(Coef 1.24,P<0.001).These variables were weighted according to their regression coefficients in an algorithm that was generated for the model predicting 30-d VTE risk post-RYGB.The risk model's area under the curve(AUC)was 0.79[95%confidence interval(CI):0.63-0.81],showing good discriminatory power,achieving a sensitivity of 0.60 and a specificity of 0.91.Without training,the same model performed satisfactorily in patients with laparoscopic sleeve gastrectomy

关键词： Roux-en-Y gastric bypass Venous thromboembolism Machine learning Bariatric surgery Predictive modeling

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Impact of COVID-19 on liver transplant recipients: A nationwide cohort study evaluating hospitalization, transplant rejection, and inpatient mortality

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World Journal of Transplantation 2024年第2期14卷 62-75页

作者： Faisal Inayat Pratik Patel Hassam Ali Arslan Afzal Hamza tahir Ahtshamullah Chaudhry Rizwan Ishtiaq Attiq Ur Rehman Kishan Darji muhammad Sohaib Afzal Gul nawaz Alexa Giammarino Sanjaya K Satapathy Department of Internal Medicine Allama Iqbal Medical CollegeLahorePunjab 54550Pakistan Division of Gastroenterology Mather Hospital and Zucker School of Medicine at Hofstra UniversityPort JeffersonNY 11777United States Division of Gastroenterology and Hepatology East Carolina University Brody School of MedicineGreenvilleNC 27834United States Department of Internal Medicine Jefferson Einstein HospitalPhiladelphiaPA 19141United States Department of Internal Medicine St.Dominic's HospitalJacksonMS 39216United States Department of Internal Medicine Saint Francis Hospital and Medical CenterHartfordCT 06105United States Division of Hepatology Geisinger Wyoming Valley Medical CenterWilkes-BarrePA 18711United States Department of Internal Medicine Campbell University and Cape Fear Valley Medical CenterFayettevilleNC 28301United States Department of Internal Medicine North Shore University Hospital and Zucker School of Medicine at Hofstra UniversityManhassetNY 11030United States Division of Hepatology North Shore University Hospital and Zucker School of Medicine at Hofstra UniversityManhassetNY 11030United States

BACKGROUND The coronavirus disease 2019(COVID-19)pandemic has posed a major public health concern worldwide.Patients with comorbid conditions are at risk of adverse outcomes following COVID-19.Solid organ transplant recipients with concurrent immunosuppression and comorbidities are more susceptible to a severe COVID-19 infection.It could lead to higher rates of inpatient complications and mortality in this patient population.However,studies on COVID-19 outcomes in liver transplant(LT)recipients have yielded inconsistent findings.AIM To evaluate the impact of the COVID-19 pandemic on hospital-related outcomes among LT recipients in the United States.METHODS We conducted a retrospective cohort study using the 2019–2020 National Inpatient Sample database.Patients with primary LT hospitalizations and a secondary COVID-19 diagnosis were identified using the International Classi-fication of Diseases,Tenth Revision coding system.The primary outcomes included trends in LT hospitalizations before and during the COVID-19 pandemic.Secondary outcomes included comparative trends in inpatient mortality and transplant rejection in LT recipients.RESULTS A total of 15720 hospitalized LT recipients were included.Approximately 0.8%of patients had a secondary diagnosis of COVID-19 infection.In both cohorts,the median admission age was 57 years.The linear trends for LT hospitalizations did not differ significantly before and during the pandemic(P=0.84).The frequency of in-hospital mortality for LT recipients increased from 1.7%to 4.4%between January 2019 and December 2020.Compared to the pre-pandemic period,a higher association was noted between LT recipients and in-hospital mortality during the pandemic,with an odds ratio(OR)of 1.69[95%confidence interval(CI):1.55-1.84),P<0.001].The frequency of transplant rejections among hospitalized LT recipients increased from 0.2%to 3.6%between January 2019 and December 2020.LT hospitalizations during the COVID-19 pandemic had a higher association with transplant rejection than before the pande

关键词： Liver transplant recipients Solid organ transplantation COVID-19 Hospitalization Transplant rejection Mortality

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Succinate-bonded pullulan: An efficient and reusable super-sorbent for cadmium-uptake from spiked high-hardness groundwater

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Journal of Environmental Sciences 2015年第11期27卷 51-58页

作者： Azhar Abbas muhammad Ajaz Hussain muhammad Amin muhammad Sher muhammad nawaz tahir Wolfgang Tremel Department of Chemistry University of Sargodha Institute of Inorganic and Analytical Chemistry Johannes Guttenberg University

Chemically modified pullulan was evaluated for its sorption efficiency and selectivity to remove cadmium（Cd） from spiked high-hardness groundwater（GW）. Pullulan esterified with succinic anhydride using dimethylaminopyridine showed a fairly high degree of substitution value as confirmed by1 H NMR spectroscopy. Pullulan succinate（Pull-Suc） was converted into the sodium salt（Pull-Suc-Na）. The effect of contact time（5–200 min） and p H（2–8） on Cd-uptake by the sorbent（Pull-Suc-Na） was investigated. The sorbent showed more than 90% Cd-removal in first 15 min from distilled water（DW） and GW solution,respectively. Comparison of Pull-Suc-Na with other polysaccharidal sorbents suggested its high efficiency（DW 476.2 mg/g and GW 454.5 mg/g） and selectivity for the removal of Cd by an ion exchange mechanism, which is further supported by the negative Gibbs free energy values calculated from Langmuir isotherms. A Langmuir isotherm kinetic model provided the best fit for the sorption of Cd using Pull-Suc-Na. The sorbent showed a negligible decrease in Cd-uptake over three regeneration cycles. The thermal stability testing of the sorbents indicated that Pull-Suc-Na（sorbent） is more stable than Pull-Suc.

关键词： Adsorption Cadmium Modified pullulan Succinylation Thermal stability

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UV Assisted Preliminary DNA Binding Studies and Single-crystal X-ray Structure of 4-{(4-Nitrophenyl-sulfonamido)methyl}cyclohexanecarboxylic Acid

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Chinese Journal of Structural Chemistry 2017年第5期36卷 745-750页

作者： muhammad Danish RABIA Ayub Butt muhammad nawaz tahir muhammad Ashfaq SYEDA tahira Hafeez Department of Chemistry University of GujratGujrat 50700Pakistan Department of Physics University of SargodhaSargodhaPakistan

A new sulfonamide, 4-{（4-nitrophenylsulfonamido）methyl}cyclohexanecarboxylic acid（C14H18N2O6S）, has been synthesized by the reaction of tranexamic acid and 4-nitrobenzenesulfonyl chloride in basic medium at room temperature. The molecular structure was determined by FT-IR, NMR, elemental analysis and single-crystal X-ray technique. X-ray diffraction shows that the compound crystallizes in the monoclinic system, space group P21/c with a = 13.5980（7）, b = 4.9877（2）, c = 23.3878（13） A, β = 93.254（3）°, Z = 4, V = 1583.67（14） A3, μ = 0.237 mm-1, F（000） = 720, R = 0.0471 and w R = 0.1182. The molecules are related by inversion and paired into dimers via C–H…O interactions. The dimmers are interlinked due to strong N–H…O bonds, where O-atoms are of sulfonyl groups. The molecules are stabilized in the form of infinite two-dimensional network with base vectors [0 1 0] and [0 0 –1] in the plane（1 0 2）. The existence of good intermolecular interactions suggests the biological importance of the synthesized molecule. The compound was screened for its interaction with FS-DNA using UV-visible spectroscopy. UV-visible spectroscopic results depict that the compound interacts with DNA by mixed binding mode intercalation along with hydrogen bonding. Negative values of ΔG（–23.34, –17.79 k J·mol-1） indicate spontaneity of the compound-DNA adduct formation.

关键词： sulfonamide tranexamic acid 4-nitrobenzenesulfonyl chloride XRD FS-DNA,intercalation

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Synthesis and Single Crystal X-ray Studies of 3-(3,5-Bis(trifluoromethyl)phenyl) Quinoline and 3-(4-Fluoro-3-methylphenyl) Quinoline

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Chinese Journal of Structural Chemistry 2014年第1期33卷 90-96页

作者： Malik Aman Ullah muhammad Adeel muhammad nawaz tahir muhammad Raza Shah Irfan Ullah Department of Chemistry Gomal University Department of Physics University of Sargodha ICCBS HEJ Research Institute of ChemistryUniversity of Karachi

The title compounds 3-（3,5-bis（trifluoromethyl）phenyl）quinoline （1） and 3-（4- fluoro-3-methylphenyl）quinoline （2） were synthesized through Suzuki-Miyaura Cross coupling reaction of 3-bromoquinoloine with aryl boronic acids. The title compounds were characterized by single-crystal X-ray diffraction, 1H NMR, 13C NMR, El-MS, elemental analysis and IR. The crystals of 3-（3,5-bis（trifluoromethyl）phenyl）quinoline （C17H9F6N, Mr = 341.25） belongs to the monoclinic system, space group P21n, a = 12.3072（13）, b = 4.9378（6）, c = 24.493（2） A, V= 1473.1（3） A3, Z = 4, Dc = 1.539 Mg m-3, 2 - 0.71073A, μ = 0.144 mm^-1, F（000） = 688, the final R = 0.0715 and wR = 0.1873 for 1875 obserwed reflections with I 〉 2σ（I） and the crystal of 3-（4-fluoro-3- methylphenyl）quinoline （C16H12FN, Mr= 237.27） belongs to the orthorhombic system, space group Pca21, a = 23.794（2）, b = 3.9094（3）, c = 25.669（2） A, V = 2387.7（4） A3, Z = 8, D, = 1.320 Mg m-3, 2 = 0.71073 A, μ = 0.088 mm-1, F（000） = 992, the final R = 0.0534 and wR = 0.1188 for 2270 observed reflections with I 〉 2σ（I）.

关键词： 3-bromoquinoline crystal structure Pd（PPh3）3 boronic acid suzuki coupling

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One-pot Synthesis,Crystal Structures and Antimicrobial Activities of Two New 1,4-Disubstituted 1,2,3-Triazole-4-Carboxylates

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Chinese Journal of Structural Chemistry 2015年第1期34卷 26-32页

作者： muhammad Naeem Ahmed KHAWAJA Ansar Yasin muhammad nawaz tahir IFZAN Arshad MURTAZA Madni Department of Chemistry The University of Azad Jammu and Kashmir University of Sargodha Department of Physics Department of Chemistry Quaid-i-Azam University

Two new 1,4-disubstituted 1,2,3-triazoles-4-carboxylates were synthesized via click reaction. Compound 1a was synthesized by the interaction of 6-nitro-tetrazolo[1.5-a]-pyridine with ethyl propynoate at room temperature in the presence of Cu（OAc）2 as a catalyst and THF as solvent. Compound 1b was also synthesized by the same manner except that tert-butyl propionate, instead of ethyl propynoate, was used. The compounds were characterized by IR, 1H-NMR, 13C-NMR and single-crystal X-ray diffraction analysis. Compound 1a（C10H9N5O4） crystallizes in the triclinic system, space group P1 with a = 5.0894（9）, b = 8.9834（13）, c = 13.089（2）？, α= 83.041（7）, β= 80.256（7）, γ=87.296（8）°, V = 585.24（16）？3, Z = 2, Mr = 263.22, crystal size（mm） = 0.37 × 0.20 ×0.18,（I 〉 2σ（I）） = 8557, 2493, 1229, Rint = 0.057. Compound 1b（C12H13N5O4） crystallizes in the monoclinic system, space group P21/c with a = 6.8854（5）, b = 21.783（2）, c = 9.3986（8）？,β = 93.239（4）°, V = 1407.4（2）？3, Z = 4, Mr = 291.27, crystal size（mm） = 0.38 × 0.22 × 0.20,（I 〉 2σ（I）） = 11842, 3172, 1866, Rint = 0.047. Antimicrobial assay results showed that the title compounds display excellent activities to different bacterial and fungal strains.

关键词： click reaction triazoles crystal structure antimicrobial activity

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Synthesis, Crystal Structure and DNA Interaction Study of 3-(2-(3,5-Diphenyl-4,5-dihydropyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one

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Chinese Journal of Structural Chemistry 2015年第7期34卷 1013-1018页

作者： MURTAZA Madni SHAHID Hameed muhammad Naeem Ahmed KHAWAJA Ansar Yasin muhammad nawaz tahir Department of Chemistry Quaid-i-Azam University Department of Chemistry The University of Azad Jammu and Kashmir University of Sargodha Department of Physics

A new compound 3-（2-（3,5-diphenyl-4,5-dihydropyrazol-1-yl）thiazol-4-yl）-2Hchromen-2-one was synthesized by cyclocondensation of 3,5-diphenyl-4,5-dihydropyrazole-1-carbothioamide with 3-（2-bromoacetyl）-2H-chromen-2-one in ethanol at reflux for 2hrs. The compound was characterized by IR, 1H-NMR, 13C-NMR and single-crystal X-ray diffraction analysis. The newly synthesized compound（C27H19N3O2S） crystallizes in the triclinic system, space group P1 with a = 5.2476（6）, b = 18.289（2）, c = 23.115（3） , α = 93.546（7）, β = 94.715（6）, γ = 92.347（7）°, V = 2204.3（4）3, Z = 4, Mr = 449.51, crystal size = 0.38 mm × 0.22 mm × 0.16 mm,（I 2σ（I）） = 35317, 9736, 3785, Rint = 0.081,（Δρ）max = 0.19 and（Δρ）min = –0.24 e·-3. DNA interaction studies revealed that the target compound strongly interacts with DNA through an intercalation binding mode and the binding constant of the compound is 7.45 × 104 M-1.

关键词： binding constant DNA Interaction crystal structure cyclocondensation reaction 1 3-thiazole

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Structure Elucidation and Biological Screening of Bis(4-{[(E)-(2-Hydroxybenzylidene)amino]methyl}-cyclohexane-carboxylato-O)-triaqua-cadmium

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Chinese Journal of Structural Chemistry 2018年第6期37卷 871-877页

作者： muhammad Danish SABA Akbar muhammad nawaz tahir muhammad Naeem Ahmed RABIA Ayub Butt muhammad Asam Raza muhammad Ashfaq Department of Chemistry University of Gujrat Department of Physics University of Sargodha Department of Chemistry University of Azad Jammu and Kashmir

Using a bidentate ligand, a Schiff base 4-（{[（Z）-（2-hydroxyphenyl）methyldene]amino}methyl）cyclohexanecarboxylic acid, complex I（ML2, where M = Cd（Ⅱ）） was synthesized and characterized by IR spectroscopy and X-ray crystallography. It crystallizes in monoclinic system, space group C2/c, M_r = 685.04, 0.34 mm × 0.26 mm × 0.14 mm, a = 54.050（3）, b = 6.1220（3）, c = 9.5081（5） A, β = 90.229（2）°, Z = 4, C_（30） H_（40） CdN_2 O_9 and V = 3146.2（3） A^3. Complex I was screened for its bactericidal activity against four bacterial strains Chromohalobactersalexigens, Chromohalobacterisraelensis, Halomonashalofila and Halomonassalina and fungicidal activity against Aspergillusnigerand Aspergillusflavus. Antimicrobial activity results showed that the synthesized complex displayed good anti-fungal activity against two fungal strains. It was found to be inactive against four different bacterial strains analyzed and was negative for bactericidal effect.

关键词： Schiff base tranexamic acid Cd XRD fungicidal activity bactericidal activity

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4-((4-Chlorophenylsulfonamido)methyl)cyclohexanecarboxylic Acid： Synthesis, Crystal Structure and Biological Activities

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Chinese Journal of Structural Chemistry 2017年第8期36卷 1307-1314页

作者： muhammad Danish RABIA Ayub Butt muhammad nawaz tahir muhammad Ashfaq SYEDA tahira Hafeez muhammad Naeem Ahmed HALEEMA Qureshi Department of Chemistry University of Gujrat Gujrat 50700 Pakistan Department of Physics University of Sargodha Sargodha Pakistan Department of Chemistry University of Azad Jammu and Kashmir Muzaffarabad 13100 Pakistan

In this study, a novel 4-（（4-chlorophenylsulfonamido）methyl）cyclohexanecarboxylic acid（C（14）H（18）ClNO4S） was synthesized by the reaction of tranexamic acid and 4-chlororbenzene sulfonyl chloride in basic medium at room temperature. The molecular structure was determined by FT-IR, NMR, elemental analysis and single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P21/c with a = 12.3120（11）, b = 16.5987（19）, c = 7.6873（7）？, β = 90.495（6）o, Z = 4 and V = 1570.9（3）？~3, crystal size（mm） = 0.38 × 0.16 × 0.14 and Rint = 0.045. In this compound, the carboxylic acid A（O（1）/C（1）/C（2）） and the sulfonyl B（O（3）/S（1）/O（4）） moieties are of course planar. The molecules are dimerized due to the O–H…O type of H-bonding with the R22（8） ring motifs. The dimmers are interlinked through C–H…O and N–H…O types of H-bonding. The synthesized compound was screened against four bacterial and two fungal strains and inactive against all strains. Antioxidant activity was checked against DPPH. Enzyme inhibition activity was carried out using three different enzymes and the title compound was more potent α-chymotrypsin inhibitor.

关键词： sulfonamide tranexamic acid 4-chlorobenzenesulfonyl chloride XRD biological applications

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Synthesis, Crystal Structure and Antimicrobial Activity of Ethyl 2-(1-cyclohexyl-4-phenyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate

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Chinese Journal of Structural Chemistry 2014年第11期33卷 1666-1672页

作者： muhammad Naeem Ahmed SHAHID Hameed KHAWAJA Ansar Yasin IFZAN Arshad IHSAN-ul-Haq SAFEENA Zafar muhammad nawaz tahir Department of Chemistry The University of Azad Jammu and Kashmir Department of Chemistry Quaid-i-Azam University Department of Pharmacy Faculty of Biological SciencesQuaid-i-Azam University University of Sargodha Department of Physics

A novel 1,4,5-trisubstituted 1,2,3-triazole（C18H21N3O3） was synthesized by a one-pot three component reaction of 1-azidocyclohexane, 1-copper（I） phenylethyne and ethoxalyl chloride at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P21/n with a = 12.8167（9）, b = 8.0966（6）, c = 16.7079（9） A, β = 98.716（2）°, Z = 4 and V = 1713.8（2）. In the crystal, the molecules are related by inversion and paired into dimers via C–H…O and C–O…C interactions involving（oxo） acetate groups. Furthermore, X-ray analysis results are compared with the optimized structure computed by using B3 LYP method with 6-311 G basis set. The calculated results showed that optimized geometry can well reproduce the crystal structure parameters. The bioassay results indicate that the compound has good antibacterial and antifungal activities.

关键词： click chemistry,triazole,cyclohexyl,oxoacetate,XRD,antimicrobial

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