science and technology

Ultrasound-assisted extraction of bioactive alkaloids from Phellodendri amurensis cortex using deep eutectic solvent aqueous solutions

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00877J, Paper
Yuanbin Li, Zuchen Pan, Binshen Wang, Wen Yu, Siwei Song, Huanhuan Feng, Weiwei Zhao, Jiaheng Zhang
ChCl/citric acid-based DESs are demonstrated to be effective green solvents for the ultrasound-assisted extraction of bioactive alkaloids from herbs.
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science and technology

Bio-fabricated ZnO nanoparticles: direct sunlight-driven selective photodegradation, antibacterial activity, and thermoluminescence-emission characteristics

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01611J, Paper
Anupama R. Prasad, Anagha M., Shamsheera K. O., Abraham Joseph
Zinc oxide (ZnO) nanoparticles were prepared via a Gliricidia sepium leaf extract-assisted green synthetic route. Near-spherical and elongated nanoparticles were obtained according to morphology analysis.
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science and technology

Synthesis of a new Ni complex supported on CoFe2O4 and its application as an efficient and green catalyst for the synthesis of bis(pyrazolyl)methane and polyhydroquinoline derivatives

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00223B, Paper
Taiebeh Tamoradi, Seyedeh Masoumeh Mousavi, Masoud Mohammadi
A novel and magnetic nanocatalyst was synthesized for the synthesis of multicomponent compounds.
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science and technology

Ultrastable conductive microporous covalent triazine frameworks based on pyrene moieties provide high-performance CO2 uptake and supercapacitance

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01292K, Paper
Mohamed Gamal Mohamed, Ahmed F. M. EL-Mahdy, Yasuno Takashi, Shiao-Wei Kuo
Two pyrene-functionalized CTFs through ionothermal treatment TCNPy in the presence of molten zinc chloride at 500 °C, which displayed high-performance CO2 uptake and supercapacitance.
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science and technology

Density Functional Theory Investigations on the Coordination of Pa(V) with N, N-dialkylamide

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00687D, Paper
Jun Ma, Chu-Ting Yang, Jun Han, Sheng Hu, Haizhu Yu, Xinggui Long
Density functional theory (DFT) method was used to study the coordination of a series of N, N-dialkylamides with Pa(V) to shed light on the inherent principals for screening amides extractants...
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science and technology

A Size-Controlled Green Synthesis of Silver Nanoparticles by the Berry Extract of Sea Buckthorn and the Biological Activities

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01335H, Paper
Simin Wei, Yinghui Wang, Zhishu Tang, Jinhang Hu, Su Rui, Lin Jingjie, Zhou Tuan, Hui Guo, Wang Nan, Xu Rongrong
Green synthesis of silver nanoparticles (AgNPs) has been extensively studied by using a variety of plant extracts for the applications in biomedical sciences and engineering. However, there are no reports...
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science and technology

Single-pot template-free synthesis of a glycerol-derived C–Si–Zr mesoporous composite catalyst for fuel additive production

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00523A, Paper
Saurabh Kumar, Nagabhatla Viswanadham, Sandeep K. Saxena, Arumugam Selvamani, Jitendra Diwakar, Ala’a H. Al-Muhtaseb
The C–Si–Zr material synthesized from bio-derived waste glycerol, ZrO(NO3)2 and TEOS exhibits excellent catalytic activity for tri-acetin production from low-value glycerol.
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science and technology

Design, Synthesis and Evaluation of A Novel Glutamine Derivative (2S,4R)-2-amino-4-cyano-4-[18F]fluoro-butanoic acid

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00410C, Paper
song Liu, Renbo Wu, Yuli Sun, Karl Ploessl, Yan Zhang, Yajing Liu, zehui wu, Lin Zhu, H. F. Kung
Glutamine is an important source of nutrient for tumor proliferation. Designing new glutamine-metabolizing PET imaging agents is useful for tumor diagnosis and treatment. Herein, a novel glutamine derivative, (2S,4R)-2-amino-4-cyano-4-[18F]fluoro-butanoic acid,...
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science and technology

Fast and easy conversion of ortho amidoaryldiselenides into the corresponding Ebselen-like derivatives driven by theoretical investigations.

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01605E, Paper
Vanessa Nascimento, Pâmella da Silva Cordeiro, Massimiliano Arca, Francesca Marini, Luca Sancineto, Antonio Luiz Braga, Vito Lippolis, Michio Iwaoka, Claudio Santi
DFT calculations performed on amidoaryldiselenides as electrophilic derivatives evidenced the presence of a prevalent Se···O weak interaction when selenium is bonded to a Se atom (diselenides), a Br atom (selenenyl...
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science and technology

Linear dicarboxylate based pyridyl appended cobalt(II) coordination polymers in search of opto-electronic properties

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00567C, Paper
Faruk Ahmed, Joydeep Datta, Samim Khan, Basudeb Dutta, Sakhiul Islam, Sanobar Naaz, Partha Pratim Ray, Mohammad Hedayetullah Mir
Two new coordination polymers (CPs) [Co(adc)(4-ppy)(H2O)2]n, (1) and [Co(adc)(4-bppy)(H2O)2]n, (2) (H2adc = acetylenedicarboxylic acid, 4-ppy = 4-phenylpyridine and 4-bppy = 4-(4-bromophenyl)pyridine) have been synthesized and characterized by various techniques including...
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science and technology

Trifluoromethyl functionalized polyindoles: Electrosyntheses, characterization, and improved capacitive performance

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00812E, Paper
Rui Wang, Yu Xue, Fengxing Jiang, Weiqiang Zhou, Jingkun Xu, Xuemin Duan, Danhua Zhu, Liming Xu, Yue Cai, Aiqin Liang
Fluorination of conjugated polymers has been explored as a viable strategy for enhancing the overall performance of corresponding polymers. In this work, two trifluoromethylated polyindoles (5-PFMIn and 6-PFMIn) are synthesized...
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science and technology

Benchmarking the inversion barriers in σ3λ3-phosphorus compounds: a computational study

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01237H, Paper
Arturo Espinosa Ferao, Antonio García Alcaraz
The study of inversion barriers for ninety-four P(III)-containing compounds has been carried out using DFT calculations. Most of these compounds display a typical vertex (“umbrella”) transition state (TS) structure, whereas...
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science and technology

Conjugated Small Organic Molecules: Synthesis and Characterization of 4- Arylpyrazole-decorated Dibenzothiophenes

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01887B, Paper
M. Bhanuchandra, Satyajit Panda, Ram Singh Jat, Amir Fayaz, Jony Saha, Ramalingam Thirumoorthi , Tapta Kanchan Roy
4-Arylpyrazole-decorated dibenzothiophenes have been synthesized. The synthesis involves the treatment of 2,8-dibromodibenzothiophene with pyrazole under Ullmann-type amination conditions for the dual C-N bond formation. The selective bromination of the resulting...
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science and technology

A two-photon AIE fluorophore as a photosensitizer for highly efficient mitochondria-targeted photodynamic therapy

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00822B, Paper
Qunshou Kong, Boxuan Ma, Tao Yu, Cheng Hu, Gaocan Li, Qing Jiang, Yunbing Wang
Nowadays, photodynamic therapy (PDT) has become an effective way for cancer therapy. However, there are still some drawbacks for common photosensitizers including poor photostability, nonspecific targeting, poor penetration depth of...
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science and technology

Electrospun poly (3-hydroxybutyrate-co-3-hydroxyvalerate) / Polyethylene oxide (PEO) microfibers reinforced with ZnO nanoparticles for antibacterial and antibiofilm wound dressing applications

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01384F, Paper
Pranjali Mahamuni, Pooja M Patil, Pratikshkumar Patel, Maruti Jayram Dhanavade, Manohar V Badiger, Yogesh Marathe, Raghvendra Ashok Bohara
Biocompatible and biodegradable polymers are extensively used in designing wound dressing materials. The present investigation deals with the preparation of a unique blend of zinc oxide (ZnO) nanoparticles incorporated in...
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science and technology

The classification and application of cyclodextrin polymers: a review

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/C9NJ05844C, Perspective
Bingren Tian, Jiayue Liu
The designing and constructing of polymer structures play an important role in the field of polymer science. In addition, polymers can provide good ideas and opportunities for the development of...
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science and technology

Transition Metal Ions Induced Secondary Structural Transformation in Hydrophobized Short Peptide Amphiphile

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01501F, Paper
Khashti B Joshi, RAMESH SINGH, Narendra K Mishra, Narendra Singh, Puneet Gupta, Parveen Rawal
A precise control over self-assembling structures of rationally designed hydrophobized short peptide amphiphile (sPA) was studied. Bioactive transition metal ions were used to transform the supramolecular structures of this sPA....
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science and technology

Novel phthalocyanine-based micelles/PNIPAM composite hydrogels: spatial/temporal-controlled drug release triggered by NIR laser irradiation

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01882A, Letter
Tao Jia, Lu Li, Enna Ha, Zheng Qu, Lei Shi, Tiedong Sun, Shengnan Tan, Wancheng Zhao
Near-infrared (NIR) light-responsive hydrogels hold significant potential for biomedical application, especially in remote-controlled release of anticancer drugs. Herein we report a novel NIR light responsive composite hydrogel system that undergoes...
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science and technology

Oxidative cyclization of thiosemicarbazide: chemo-dosimetric approach for highly selective fluorescence detection of cerium(IV)

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01100B, Paper
Ahad Shaikh, Pallabi Mukherjee, Sabyasachi Ta, Arun Bhattacharyya, Abhijit Ghosh, Debasis Das
A simple thiosemicarbazide based chemodosimeter detects Ce4+ ion through turn-on fluorescence. The sensing mechanism is based on oxidative cyclyzation. The chemodosimeter shows exceptional selectivity for Ce4+ that allows to detect...
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science and technology

Cobalt-based Layered Double Hydroxides Revisited: evidence for an oxidizing radical generation

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00380H, Paper
Rafael dos Santos Macedo, Rodrigo Boni Fazzi, Ana Maria Da Costa Ferreira, Vera R._Leopoldo Constantino
Layered double hydroxides (LDHs) containing transition metal elements such as cobalt have been studied mainly for applications in electrochemical devices and as catalysts. Fundamental studies about Co-based LDHs are required...
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science and technology

Conjugated nanoporous polycarbazole bearing a cobalt complex for efficient visible-light driven hydrogen evolution

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01534B, Paper
Bin Guo, Hai-Yan Li, Jianying Chen, David James Young, Jian-Ping Lang, Hong-Xi Li
A conjugated nanoporous polycarbazole (CNP) cross-linked by pyridine and coordinated to Co(III) displays high catalytic performance for visible light-driven H2 generation. The hydrogen evolution rate was up to 410 μmol·g-1·h-1....
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science and technology

Efficient modulation of upconversion luminescence in NaErF4-based core-shell nanocrystals

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/C9NJ06240H, Letter
Tingting Pan, Li-Yuan Sun, Rongyao Gao, Li-Min Fu, Xi-Cheng Ai, Jian-Ping Zhang
Efficient modulation of upconversion selectivity of heavily-doped core-shell nanocrystals was achieved through precisely tuning of [F]/[RE] ratio during the synthesis. Brighter upconversion luminescence with smaller nanoparticle size and tunable color...
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science and technology

Whole Genome Sequence Analysis and Homology Modelling of Main Protease and Non-Structural Protein 3 of the SARS-CoV-2 reveals an Aza-Peptide and a Lead Inhibitor with Possible Antiviral Properties

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00974A, Paper
Arun K Shankar, Divya Bhanu, Anjani Alluri, Samriddhi Gupta
The family of viruses belonging to Coronaviridae consist of virulent pathogens that have a zoonotic property, Severe Acute Respiratory Syndrome (SARS-CoV) and Middle East Respiratory Syndrome (MERS-CoV) of this family...
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science and technology

A non-enzymatic electrochemical approach for L-Lactic acid sensor development based on CuO.MWCNT nanocomposites modified with a nafion matrix

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01715A, Paper
Mohammad M. Hussain, Abdullah M. Asiri, Mohammed M. Rahman
Copper oxide ornamented multi-walled carbon nanotube nanocomposites (CuO.MWCNT NCs) were prepared using an unsophisticated wet-chemical technique in basic medium. CuO.MWCNT NCs was examined by using various analytical techniques for example...
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science and technology

Construction and application of nonenzymatic ascorbic acid sensor based on NiO1.0/polyaniline3.0 hybrid

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00696C, Paper
shichao Zhu, Aijuan Xie, Bingyan Wei, Xiang Tao, Jianghui Zhang, Wenhao Peng, Chenyang Liu, Linyang Gu, Chenfei Xu, Shiping Luo
NiO1.0/PANI3.0 was prepared by in-situ polymerization method in one-pot and applied in detection of ascorbic acid (AA). Cyclic voltammetry (CV) and Differential pulse voltammetry (DPV) were used to optimize the...
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science and technology

Facile assemble of 2D α-zirconium phosphate supported silver nanoparticles: superior and recyclable catalysis

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01378A, Paper
Yonghang Xu, Fangya Zhou, Min Chen, Huawen Hu, Limiao Lin, Jingshu Wu, Min Zhang
A novel, efficient and durable ZrP@PDA/Ag nanocatalyst was prepared via facile reduction and deposition of silver nanoparticles (AgNPs) on two dimensional (2D) α-zirconium phosphate (ZrP) nanosheets using bio-inspired dopamine chemistry....
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science and technology

POM-based dyes featured rigidified bithiophene π linkers: Potential high-efficient dyes for dye-sensitized solar cells

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01150A, Paper
Yu Gao, Li-Kai Yan, Wei Guan, Yanhong Xu
A series of POM-based dyes with triphenylamine electron donor group, cyanoacrylic acid electron acceptor group and different π linkers of thiophene derivatives are systematically investigated to analyze the influence of...
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science and technology

Cu(II)Cl2 Containing Bispyridine-based Porous Organic Polymer Support Prepared via Alkyne-Azide Cycloaddition as a Heterogeneous Catalyst for Oxidation of Various Olefins

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01174F, Letter
Jong Ho Yoon, Hye Min Choi, Suk Joong Lee
New class of porous organic polymer (POP) based heterogeneous catalyst Cu-POP was prepared from immobilizing Cu(II)Cl2 into bpy containing POP prepared via alkyne-azide cycloaddition. This new catalyst showed efficient catalytic...
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science and technology

Changes in Trends in Thyroid Cancer Incidence in the United States, 1992 to 2016

This study uses Surveillance, Epidemiology, and End Results (SEER) registry data to describe trends in thyroid cancer incidence overall and by tumor size in the United States from 1992 to 2016.




science and technology

Incidence of Hypoparathyroidism After Thyroid Cancer Surgery in South Korea, 2007-2016

This study uses South Korean administrative database data to assess changes in incidence of postthyroidectomy hypoparathyroidism during a period of fluctuations in thyroid cancer screening and surgery between 2007 and 2016.




science and technology

Insight into the Landscape of Professional Development in Head Start from FACES 2014

A new research brief illuminates the landscape of professional development in Head Start programs. Using data from the spring 2017 round of the FACES 2014 Survey, researchers explore professional development experiences of Head Start program directors, center directors, teachers, and other staff.




science and technology

Mathematica Studies in Special Issue of Health Affairs Inform Evidence Base on U.S. Military Health System

More than nine million active duty and retired military members and their families, including two million children, receive benefits from TRICARE, the military’s health care program. TRICARE offers health maintenance organization (HMO) and preferred provider organization (PPO) options.




science and technology

Help Send Mathematica Staff and Our Community Partners to SXSW EDU

Mathematica staff and their local community partners are vying for an opportunity to share insights from cutting-edge projects related to equity, early learning, the science of learning, and K–12 education.




science and technology

Mathematica Experts Showcase MACBIS Expertise and Present on Medicaid Methods and Topics at Medicaid Enterprise Systems Conference

Mathematica experts will showcase their expertise in providing business analytics and data quality development for the Medicaid and CHIP (Children’s Health Insurance Program) Business Information Solution (MACBIS) at this year’s Medicaid Enterprise Systems Conference in Chicago.




science and technology

Improving Educational Equity Through Cultural Responsiveness in Schools and Educator Preparation Programs: A Virtual Workshop Series

Join the Regional Educational Laboratory Mid-Atlantic and stakeholders from the New Jersey and Delaware Departments of Education for a free four-part series on culturally responsive practices as a strategy for improving education outcomes.




science and technology

New Study of Program for Noncustodial Parents Reveals Large Effect on Parents’ Level of Satisfaction with Child Support Services

Parents who participated in the Child Support Noncustodial Parent Employment Demonstration (CSPED) reported substantially higher levels of satisfaction with child support services compared with those who did not participate in the program.




science and technology

Mathematica at the National Association for Medicaid Program Integrity (NAMPI) Conference

Mathematica’s Jonathan Morse and Clint Eisenhower will team up to share their thoughts on state impacts and expectations for the Centers for Medicare & Medicaid Services Medicaid program integrity strategy at this year’s NAMPI Annual Conference in Atlanta.




science and technology

New Research Analyzes State-Level Impact of USDA Proposal to End SNAP Broad-Based Categorical Eligibility

This interactive data visualization uses SNAP quality control data from fiscal year 2016 and microsimulation modeling to provide detailed information on the demographic characteristics of those at risk of losing benefits.




science and technology

Mathematica at the 2019 ISM Annual Conference

Join Mathematica at the 2019 ISM Annual Conference in Milwaukee, Wisconsin, as Elizabeth Weigensberg, Mathematica’s state and local child welfare lead, and Matthew Stagner, vice president and director of human services, team up to share their expertise on how being data driven can improve outcomes for state child welfare agencies.




science and technology

KIPP Middle Schools Boost College Enrollment

According to a new study from Mathematica, students who attended Knowledge Is Power Program (KIPP) middle schools were substantially more likely to enroll in four-year colleges.




science and technology

Support for Data-Driven Instruction Comes Up Short in New Study

Although most school districts help teachers use data to improve student learning, a new Mathematica study shows that providing schools with data coaches and professional development to support their efforts did not result in increased data use by teachers.




science and technology

New Report Highlights How Climate Shocks Impede Development in Southern Malawi

A new report from Mathematica, the Notre Dame Initiative for Global Development, and AidData highlights how a set of climate shocks played a major role in impeding the long-term impact of a food security program funded by the U.S. Agency for International Development (USAID) in southern Malawi.




science and technology

Mathematica Honors National Principals Month with Resources on Innovative Programs to Develop School Leaders

Each October, National Principals Month recognizes the essential role principals play in making schools great.




science and technology

New Report and Infographic Examine Trends in Disciplinary Removals in Maryland

Across the nation, Black students, economically disadvantaged students, and students with disabilities are disproportionately subjected to disciplinary removals, which are out-of-school suspensions and expulsions that compromise students’ opportunities to learn and increase their risk of dropping out.




science and technology

Effects of Sweetened Beverage Taxes in Philadelphia and Oakland: Fewer Beverage Purchases, but Increased Cross-Border Shopping and Mixed Effects on Consumption

A Mathematica issue brief synthesizes new and recent evidence on how the two cities’ beverage taxes affected purchases, consumption, and the retail environment.




science and technology

Final Report on a Teen Pregnancy Prevention Approach for Middle-School Boys

Early fatherhood can have negative effects on the outcomes of young men, reducing the number of years of schooling they receive and their likelihood of graduating from high school.




science and technology

Final Impacts of a Home Visiting Program in Texas Designed to Reduce Repeat Pregnancies

A final report presents evidence on the long-term impacts of the Steps to Success home visiting program for adolescent mothers in San Angelo, Texas.




science and technology

New Tools to Explore the Role of Physician Group Practices in U.S. Health Care Systems

A new, publicly available data file on physician group practices has been released by the Agency for Healthcare Research and Quality’s (AHRQ) Comparative Health System Performance Initiative.




science and technology

Mathematica at Association for Public Policy Analysis & Management (APPAM): Rising to the Challenge of Engaging Diverse Perspectives

From November 7 to 9, APPAM will host its annual Fall Research Conference in Denver, Colorado. As a proud partner of APPAM since its inception, Mathematica will participate in a number of conference activities.




science and technology

Does a Professional Development Program for Elementary School Principals Improve School Leadership?

Principals can play an important role in improving instruction and student achievement in their schools. Many professional development programs focus on strengthening principals’ leadership skills.